USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= -14.5! C(o=-25!,f=-25!) USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= -10.5! C(o=-26!,f=-25!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= -2.05! (180deg=-5.36!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0834 USER MOD Single : A 20 THR OG1 : rot -61:sc= -1.77 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -114:sc= -8.04! (180deg=-11.3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 124:sc= -7.42! USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.675 F(o=-1.7!,f=-0.68) USER MOD Single : A 51 THR OG1 : rot 150:sc= -0.322 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= -0.0135 (180deg=-0.0522) USER MOD Single : A 55 TYR OH : rot 70:sc= -1.24 USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= -0.459 (180deg=-1.27) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 130:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.72 F(o=-2.4,f=-0.72) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.22 F(o=-1.3,f=-0.22) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -91:sc= 0.233 USER MOD Single : A 99 ASN : amide:sc= -1.07! C(o=-1.1!,f=-2.4!) USER MOD Single : A 105 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.17) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.676 6.886 -11.113 1.00 0.00 N ATOM 2 CA MET A 1 -14.477 5.675 -11.128 1.00 0.00 C ATOM 3 C MET A 1 -13.589 4.429 -11.080 1.00 0.00 C ATOM 4 O MET A 1 -13.746 3.584 -10.199 1.00 0.00 O ATOM 5 CB MET A 1 -15.332 5.643 -12.396 1.00 0.00 C ATOM 6 CG MET A 1 -16.824 5.664 -12.053 1.00 0.00 C ATOM 7 SD MET A 1 -17.796 5.517 -13.542 1.00 0.00 S ATOM 8 CE MET A 1 -19.347 6.187 -12.968 1.00 0.00 C ATOM 0 H1 MET A 1 -14.068 7.553 -10.418 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.697 6.651 -10.853 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.689 7.322 -12.057 1.00 0.00 H new ATOM 0 HA MET A 1 -15.118 5.676 -10.247 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.088 6.499 -13.025 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.100 4.747 -12.972 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.060 4.846 -11.373 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.074 6.591 -11.536 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.074 6.169 -13.780 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.717 5.587 -12.137 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.199 7.215 -12.636 1.00 0.00 H new ATOM 16 N PRO A 2 -12.653 4.352 -12.063 1.00 0.00 N ATOM 17 CA PRO A 2 -11.741 3.224 -12.142 1.00 0.00 C ATOM 18 C PRO A 2 -10.655 3.323 -11.068 1.00 0.00 C ATOM 19 O PRO A 2 -10.507 4.358 -10.422 1.00 0.00 O ATOM 20 CB PRO A 2 -11.184 3.266 -13.555 1.00 0.00 C ATOM 21 CG PRO A 2 -11.446 4.675 -14.065 1.00 0.00 C ATOM 22 CD PRO A 2 -12.440 5.334 -13.123 1.00 0.00 C ATOM 0 HA PRO A 2 -12.233 2.270 -11.951 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.118 3.040 -13.561 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.670 2.524 -14.189 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.518 5.246 -14.102 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.843 4.646 -15.080 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.047 6.269 -12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.372 5.573 -13.635 1.00 0.00 H new ATOM 27 N VAL A 3 -9.923 2.229 -10.911 1.00 0.00 N ATOM 28 CA VAL A 3 -8.856 2.179 -9.927 1.00 0.00 C ATOM 29 C VAL A 3 -9.438 2.430 -8.535 1.00 0.00 C ATOM 30 O VAL A 3 -9.051 3.381 -7.857 1.00 0.00 O ATOM 31 CB VAL A 3 -7.752 3.171 -10.301 1.00 0.00 C ATOM 32 CG1 VAL A 3 -6.780 3.375 -9.136 1.00 0.00 C ATOM 33 CG2 VAL A 3 -7.011 2.717 -11.561 1.00 0.00 C ATOM 0 H VAL A 3 -10.048 1.371 -11.449 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.396 1.191 -9.913 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.222 4.130 -10.516 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.006 4.084 -9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.322 3.764 -8.274 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.320 2.422 -8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.232 3.439 -11.805 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.559 1.741 -11.385 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.714 2.647 -12.391 1.00 0.00 H new ATOM 43 N THR A 4 -10.360 1.560 -8.149 1.00 0.00 N ATOM 44 CA THR A 4 -11.001 1.676 -6.849 1.00 0.00 C ATOM 45 C THR A 4 -10.152 0.995 -5.774 1.00 0.00 C ATOM 46 O THR A 4 -9.062 0.500 -6.059 1.00 0.00 O ATOM 47 CB THR A 4 -12.412 1.097 -6.965 1.00 0.00 C ATOM 48 OG1 THR A 4 -13.102 1.638 -5.842 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.447 -0.415 -6.731 1.00 0.00 C ATOM 0 H THR A 4 -10.679 0.772 -8.713 1.00 0.00 H new ATOM 0 HA THR A 4 -11.086 2.718 -6.541 1.00 0.00 H new ATOM 0 HB THR A 4 -12.815 1.320 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.027 1.315 -5.840 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.472 -0.774 -6.825 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.819 -0.912 -7.470 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.075 -0.637 -5.731 1.00 0.00 H new ATOM 57 N GLN A 5 -10.682 0.993 -4.560 1.00 0.00 N ATOM 58 CA GLN A 5 -9.986 0.381 -3.441 1.00 0.00 C ATOM 59 C GLN A 5 -9.688 -1.089 -3.740 1.00 0.00 C ATOM 60 O GLN A 5 -8.526 -1.480 -3.852 1.00 0.00 O ATOM 61 CB GLN A 5 -10.794 0.525 -2.149 1.00 0.00 C ATOM 62 CG GLN A 5 -10.135 -0.245 -1.002 1.00 0.00 C ATOM 63 CD GLN A 5 -9.147 0.642 -0.242 1.00 0.00 C ATOM 64 OE1 GLN A 5 -9.370 1.034 0.891 1.00 0.00 O ATOM 65 NE2 GLN A 5 -8.046 0.936 -0.929 1.00 0.00 N ATOM 0 H GLN A 5 -11.585 1.405 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.039 0.901 -3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.878 1.579 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.807 0.154 -2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.901 -0.611 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.616 -1.118 -1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.923 0.574 -1.875 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.325 1.523 -0.510 1.00 0.00 H new ATOM 72 N GLU A 6 -10.755 -1.863 -3.862 1.00 0.00 N ATOM 73 CA GLU A 6 -10.622 -3.282 -4.146 1.00 0.00 C ATOM 74 C GLU A 6 -9.716 -3.498 -5.360 1.00 0.00 C ATOM 75 O GLU A 6 -9.190 -4.591 -5.560 1.00 0.00 O ATOM 76 CB GLU A 6 -11.992 -3.929 -4.362 1.00 0.00 C ATOM 77 CG GLU A 6 -12.399 -4.771 -3.151 1.00 0.00 C ATOM 78 CD GLU A 6 -13.869 -4.543 -2.793 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.761 -5.079 -3.467 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.070 -3.779 -1.773 1.00 0.00 O ATOM 0 H GLU A 6 -11.716 -1.535 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.161 -3.763 -3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.739 -3.156 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.965 -4.556 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.233 -5.827 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.770 -4.516 -2.298 1.00 0.00 H new ATOM 86 N GLU A 7 -9.563 -2.436 -6.139 1.00 0.00 N ATOM 87 CA GLU A 7 -8.730 -2.496 -7.328 1.00 0.00 C ATOM 88 C GLU A 7 -7.250 -2.482 -6.941 1.00 0.00 C ATOM 89 O GLU A 7 -6.450 -3.227 -7.504 1.00 0.00 O ATOM 90 CB GLU A 7 -9.057 -1.348 -8.284 1.00 0.00 C ATOM 91 CG GLU A 7 -9.710 -1.871 -9.566 1.00 0.00 C ATOM 92 CD GLU A 7 -11.102 -1.265 -9.759 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.220 -0.079 -10.103 1.00 0.00 O ATOM 94 OE2 GLU A 7 -12.083 -2.072 -9.537 1.00 0.00 O ATOM 0 H GLU A 7 -10.001 -1.531 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.940 -3.430 -7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.726 -0.641 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.145 -0.805 -8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.082 -1.629 -10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.785 -2.958 -9.523 1.00 0.00 H new ATOM 100 N ILE A 8 -6.931 -1.627 -5.981 1.00 0.00 N ATOM 101 CA ILE A 8 -5.560 -1.506 -5.511 1.00 0.00 C ATOM 102 C ILE A 8 -5.372 -2.382 -4.270 1.00 0.00 C ATOM 103 O ILE A 8 -4.267 -2.484 -3.740 1.00 0.00 O ATOM 104 CB ILE A 8 -5.199 -0.036 -5.286 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.867 0.858 -6.332 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.681 0.156 -5.252 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.749 2.334 -5.947 1.00 0.00 C ATOM 0 H ILE A 8 -7.597 -1.011 -5.515 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.864 -1.870 -6.267 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.584 0.266 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.404 0.694 -7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.918 0.587 -6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.451 1.209 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.257 -0.436 -4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.252 -0.168 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.232 2.948 -6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.234 2.499 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.697 2.608 -5.874 1.00 0.00 H new ATOM 118 N ILE A 9 -6.468 -2.993 -3.845 1.00 0.00 N ATOM 119 CA ILE A 9 -6.437 -3.857 -2.677 1.00 0.00 C ATOM 120 C ILE A 9 -6.554 -5.316 -3.124 1.00 0.00 C ATOM 121 O ILE A 9 -5.871 -6.189 -2.592 1.00 0.00 O ATOM 122 CB ILE A 9 -7.509 -3.435 -1.670 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.247 -2.020 -1.152 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.620 -4.451 -0.531 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.793 -1.845 0.267 1.00 0.00 C ATOM 0 H ILE A 9 -7.383 -2.907 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.485 -3.758 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.471 -3.418 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.176 -1.818 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.714 -1.293 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.389 -4.128 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.887 -5.426 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.663 -4.523 -0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.593 -0.830 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.868 -2.023 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.307 -2.557 0.934 1.00 0.00 H new ATOM 136 N ALA A 10 -7.425 -5.535 -4.098 1.00 0.00 N ATOM 137 CA ALA A 10 -7.640 -6.873 -4.623 1.00 0.00 C ATOM 138 C ALA A 10 -6.745 -7.086 -5.846 1.00 0.00 C ATOM 139 O ALA A 10 -6.240 -8.186 -6.065 1.00 0.00 O ATOM 140 CB ALA A 10 -9.124 -7.062 -4.946 1.00 0.00 C ATOM 0 H ALA A 10 -7.990 -4.808 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.369 -7.625 -3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.286 -8.065 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.714 -6.929 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.431 -6.327 -5.690 1.00 0.00 H new ATOM 146 N GLY A 11 -6.578 -6.017 -6.611 1.00 0.00 N ATOM 147 CA GLY A 11 -5.753 -6.074 -7.805 1.00 0.00 C ATOM 148 C GLY A 11 -4.277 -6.263 -7.445 1.00 0.00 C ATOM 149 O GLY A 11 -3.573 -7.039 -8.088 1.00 0.00 O ATOM 0 H GLY A 11 -7.000 -5.107 -6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.084 -6.895 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.876 -5.156 -8.380 1.00 0.00 H new ATOM 153 N ILE A 12 -3.855 -5.542 -6.416 1.00 0.00 N ATOM 154 CA ILE A 12 -2.477 -5.621 -5.963 1.00 0.00 C ATOM 155 C ILE A 12 -2.292 -6.891 -5.130 1.00 0.00 C ATOM 156 O ILE A 12 -1.395 -7.689 -5.400 1.00 0.00 O ATOM 157 CB ILE A 12 -2.081 -4.340 -5.227 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.014 -3.153 -6.191 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.770 -4.530 -4.461 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.811 -2.261 -5.880 1.00 0.00 C ATOM 0 H ILE A 12 -4.443 -4.901 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.799 -5.695 -6.814 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.854 -4.116 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.946 -3.516 -7.216 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.932 -2.570 -6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.512 -3.604 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.888 -5.330 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.025 -4.791 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.787 -1.425 -6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.894 -1.880 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.107 -2.841 -5.976 1.00 0.00 H new ATOM 171 N ALA A 13 -3.152 -7.038 -4.134 1.00 0.00 N ATOM 172 CA ALA A 13 -3.095 -8.197 -3.260 1.00 0.00 C ATOM 173 C ALA A 13 -2.828 -9.449 -4.097 1.00 0.00 C ATOM 174 O ALA A 13 -1.939 -10.238 -3.776 1.00 0.00 O ATOM 175 CB ALA A 13 -4.394 -8.298 -2.458 1.00 0.00 C ATOM 0 H ALA A 13 -3.893 -6.373 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.278 -8.098 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.350 -9.168 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.522 -7.397 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.237 -8.401 -3.142 1.00 0.00 H new ATOM 181 N GLU A 14 -3.612 -9.594 -5.155 1.00 0.00 N ATOM 182 CA GLU A 14 -3.472 -10.737 -6.041 1.00 0.00 C ATOM 183 C GLU A 14 -2.061 -10.780 -6.633 1.00 0.00 C ATOM 184 O GLU A 14 -1.469 -11.851 -6.756 1.00 0.00 O ATOM 185 CB GLU A 14 -4.529 -10.707 -7.147 1.00 0.00 C ATOM 186 CG GLU A 14 -5.877 -11.217 -6.630 1.00 0.00 C ATOM 187 CD GLU A 14 -6.496 -12.216 -7.609 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.228 -12.148 -8.818 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.280 -13.090 -7.073 1.00 0.00 O ATOM 0 H GLU A 14 -4.347 -8.938 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.629 -11.645 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.640 -9.689 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.201 -11.321 -7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.742 -11.691 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.556 -10.377 -6.484 1.00 0.00 H new ATOM 195 N ILE A 15 -1.565 -9.602 -6.983 1.00 0.00 N ATOM 196 CA ILE A 15 -0.236 -9.492 -7.559 1.00 0.00 C ATOM 197 C ILE A 15 0.805 -9.881 -6.507 1.00 0.00 C ATOM 198 O ILE A 15 1.721 -10.651 -6.790 1.00 0.00 O ATOM 199 CB ILE A 15 -0.022 -8.096 -8.149 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.806 -7.926 -9.452 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.467 -7.802 -8.333 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.472 -6.592 -10.123 1.00 0.00 C ATOM 0 H ILE A 15 -2.060 -8.716 -6.879 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.123 -10.186 -8.392 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.410 -7.362 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.573 -8.747 -10.130 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.875 -7.976 -9.246 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.592 -6.804 -8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.970 -7.854 -7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.902 -8.538 -9.009 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.043 -6.496 -11.047 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.729 -5.773 -9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.594 -6.555 -10.349 1.00 0.00 H new ATOM 213 N ILE A 16 0.628 -9.330 -5.314 1.00 0.00 N ATOM 214 CA ILE A 16 1.541 -9.610 -4.219 1.00 0.00 C ATOM 215 C ILE A 16 1.622 -11.122 -4.002 1.00 0.00 C ATOM 216 O ILE A 16 2.666 -11.641 -3.610 1.00 0.00 O ATOM 217 CB ILE A 16 1.130 -8.831 -2.967 1.00 0.00 C ATOM 218 CG1 ILE A 16 1.001 -7.336 -3.271 1.00 0.00 C ATOM 219 CG2 ILE A 16 2.097 -9.100 -1.812 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.745 -6.538 -1.991 1.00 0.00 C ATOM 0 H ILE A 16 -0.133 -8.692 -5.083 1.00 0.00 H new ATOM 0 HA ILE A 16 2.546 -9.268 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 16 0.147 -9.182 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.912 -6.979 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.185 -7.173 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.782 -8.535 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.096 -10.164 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.102 -8.793 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.657 -5.479 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.179 -6.882 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.575 -6.684 -1.299 1.00 0.00 H new ATOM 231 N GLU A 17 0.507 -11.787 -4.266 1.00 0.00 N ATOM 232 CA GLU A 17 0.439 -13.229 -4.105 1.00 0.00 C ATOM 233 C GLU A 17 1.170 -13.927 -5.255 1.00 0.00 C ATOM 234 O GLU A 17 1.193 -15.155 -5.325 1.00 0.00 O ATOM 235 CB GLU A 17 -1.013 -13.702 -4.012 1.00 0.00 C ATOM 236 CG GLU A 17 -1.084 -15.184 -3.634 1.00 0.00 C ATOM 237 CD GLU A 17 -1.548 -16.031 -4.821 1.00 0.00 C ATOM 238 OE1 GLU A 17 -1.314 -15.656 -5.979 1.00 0.00 O ATOM 239 OE2 GLU A 17 -2.173 -17.115 -4.505 1.00 0.00 O ATOM 0 H GLU A 17 -0.357 -11.353 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 17 0.934 -13.494 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.546 -13.108 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.513 -13.542 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.104 -15.525 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.770 -15.317 -2.797 1.00 0.00 H new ATOM 245 N GLU A 18 1.748 -13.113 -6.126 1.00 0.00 N ATOM 246 CA GLU A 18 2.479 -13.637 -7.268 1.00 0.00 C ATOM 247 C GLU A 18 3.980 -13.404 -7.090 1.00 0.00 C ATOM 248 O GLU A 18 4.792 -14.254 -7.457 1.00 0.00 O ATOM 249 CB GLU A 18 1.977 -13.013 -8.572 1.00 0.00 C ATOM 250 CG GLU A 18 0.458 -13.143 -8.694 1.00 0.00 C ATOM 251 CD GLU A 18 0.075 -13.939 -9.943 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.306 -15.115 -9.837 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.182 -13.293 -11.055 1.00 0.00 O ATOM 0 H GLU A 18 1.725 -12.095 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 18 2.303 -14.711 -7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.259 -11.961 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.456 -13.501 -9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.059 -13.636 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.007 -12.152 -8.737 1.00 0.00 H new ATOM 259 N VAL A 19 4.305 -12.250 -6.527 1.00 0.00 N ATOM 260 CA VAL A 19 5.695 -11.894 -6.296 1.00 0.00 C ATOM 261 C VAL A 19 6.143 -12.455 -4.945 1.00 0.00 C ATOM 262 O VAL A 19 7.098 -13.227 -4.875 1.00 0.00 O ATOM 263 CB VAL A 19 5.873 -10.379 -6.404 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.338 -10.015 -6.650 1.00 0.00 C ATOM 265 CG2 VAL A 19 4.972 -9.797 -7.495 1.00 0.00 C ATOM 0 H VAL A 19 3.629 -11.549 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 19 6.334 -12.337 -7.060 1.00 0.00 H new ATOM 0 HB VAL A 19 5.574 -9.938 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.437 -8.932 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.947 -10.380 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.676 -10.473 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.118 -8.718 -7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.225 -10.248 -8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.930 -10.010 -7.258 1.00 0.00 H new ATOM 275 N THR A 20 5.431 -12.045 -3.906 1.00 0.00 N ATOM 276 CA THR A 20 5.743 -12.496 -2.560 1.00 0.00 C ATOM 277 C THR A 20 5.078 -13.846 -2.283 1.00 0.00 C ATOM 278 O THR A 20 5.570 -14.631 -1.473 1.00 0.00 O ATOM 279 CB THR A 20 5.318 -11.399 -1.583 1.00 0.00 C ATOM 280 OG1 THR A 20 3.894 -11.430 -1.623 1.00 0.00 O ATOM 281 CG2 THR A 20 5.675 -9.998 -2.085 1.00 0.00 C ATOM 0 H THR A 20 4.639 -11.405 -3.969 1.00 0.00 H new ATOM 0 HA THR A 20 6.813 -12.664 -2.437 1.00 0.00 H new ATOM 0 HB THR A 20 5.792 -11.570 -0.617 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.588 -11.234 -2.533 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.352 -9.256 -1.355 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.754 -9.925 -2.223 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.174 -9.813 -3.035 1.00 0.00 H new ATOM 289 N GLY A 21 3.970 -14.077 -2.973 1.00 0.00 N ATOM 290 CA GLY A 21 3.233 -15.319 -2.811 1.00 0.00 C ATOM 291 C GLY A 21 2.414 -15.306 -1.519 1.00 0.00 C ATOM 292 O GLY A 21 2.157 -16.357 -0.933 1.00 0.00 O ATOM 0 H GLY A 21 3.565 -13.425 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.571 -15.467 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.927 -16.159 -2.797 1.00 0.00 H new ATOM 296 N ILE A 22 2.027 -14.106 -1.112 1.00 0.00 N ATOM 297 CA ILE A 22 1.243 -13.943 0.099 1.00 0.00 C ATOM 298 C ILE A 22 -0.245 -14.003 -0.249 1.00 0.00 C ATOM 299 O ILE A 22 -0.616 -13.914 -1.419 1.00 0.00 O ATOM 300 CB ILE A 22 1.651 -12.664 0.834 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.101 -12.748 1.319 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.682 -12.354 1.977 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.716 -11.354 1.453 1.00 0.00 C ATOM 0 H ILE A 22 2.242 -13.237 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 22 1.442 -14.760 0.793 1.00 0.00 H new ATOM 0 HB ILE A 22 1.594 -11.834 0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.137 -13.259 2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.688 -13.343 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.996 -11.440 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.323 -12.220 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.682 -13.180 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.746 -11.442 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.700 -10.855 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.141 -10.770 2.172 1.00 0.00 H new ATOM 314 N GLU A 23 -1.057 -14.153 0.786 1.00 0.00 N ATOM 315 CA GLU A 23 -2.497 -14.227 0.604 1.00 0.00 C ATOM 316 C GLU A 23 -3.034 -12.894 0.080 1.00 0.00 C ATOM 317 O GLU A 23 -2.475 -11.838 0.372 1.00 0.00 O ATOM 318 CB GLU A 23 -3.195 -14.626 1.906 1.00 0.00 C ATOM 319 CG GLU A 23 -3.790 -16.032 1.800 1.00 0.00 C ATOM 320 CD GLU A 23 -5.034 -16.169 2.679 1.00 0.00 C ATOM 321 OE1 GLU A 23 -5.795 -15.203 2.830 1.00 0.00 O ATOM 322 OE2 GLU A 23 -5.197 -17.330 3.217 1.00 0.00 O ATOM 0 H GLU A 23 -0.745 -14.225 1.755 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.711 -14.999 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.483 -14.590 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.984 -13.909 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.048 -16.244 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.045 -16.769 2.100 1.00 0.00 H new ATOM 328 N PRO A 24 -4.141 -12.988 -0.704 1.00 0.00 N ATOM 329 CA PRO A 24 -4.760 -11.802 -1.271 1.00 0.00 C ATOM 330 C PRO A 24 -5.539 -11.027 -0.205 1.00 0.00 C ATOM 331 O PRO A 24 -5.365 -9.818 -0.060 1.00 0.00 O ATOM 332 CB PRO A 24 -5.644 -12.318 -2.394 1.00 0.00 C ATOM 333 CG PRO A 24 -5.849 -13.798 -2.117 1.00 0.00 C ATOM 334 CD PRO A 24 -4.831 -14.221 -1.070 1.00 0.00 C ATOM 0 HA PRO A 24 -4.030 -11.088 -1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.597 -11.789 -2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.172 -12.164 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.862 -13.983 -1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.721 -14.379 -3.030 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.317 -14.674 -0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.136 -14.960 -1.469 1.00 0.00 H new ATOM 339 N SER A 25 -6.380 -11.755 0.513 1.00 0.00 N ATOM 340 CA SER A 25 -7.185 -11.152 1.561 1.00 0.00 C ATOM 341 C SER A 25 -6.280 -10.599 2.665 1.00 0.00 C ATOM 342 O SER A 25 -6.655 -9.663 3.369 1.00 0.00 O ATOM 343 CB SER A 25 -8.177 -12.161 2.144 1.00 0.00 C ATOM 344 OG SER A 25 -9.489 -11.616 2.256 1.00 0.00 O ATOM 0 H SER A 25 -6.522 -12.758 0.390 1.00 0.00 H new ATOM 0 HA SER A 25 -7.756 -10.333 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.206 -13.048 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.832 -12.482 3.127 1.00 0.00 H new ATOM 0 HG SER A 25 -10.093 -12.291 2.630 1.00 0.00 H new ATOM 349 N GLU A 26 -5.106 -11.202 2.780 1.00 0.00 N ATOM 350 CA GLU A 26 -4.145 -10.782 3.786 1.00 0.00 C ATOM 351 C GLU A 26 -3.742 -9.325 3.559 1.00 0.00 C ATOM 352 O GLU A 26 -3.617 -8.556 4.511 1.00 0.00 O ATOM 353 CB GLU A 26 -2.918 -11.697 3.787 1.00 0.00 C ATOM 354 CG GLU A 26 -2.231 -11.690 5.153 1.00 0.00 C ATOM 355 CD GLU A 26 -0.930 -12.496 5.117 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.967 -13.726 4.967 1.00 0.00 O ATOM 357 OE2 GLU A 26 0.147 -11.798 5.249 1.00 0.00 O ATOM 0 H GLU A 26 -4.798 -11.978 2.194 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.616 -10.859 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.218 -12.713 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.215 -11.370 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.019 -10.664 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.902 -12.109 5.903 1.00 0.00 H new ATOM 363 N ILE A 27 -3.551 -8.987 2.292 1.00 0.00 N ATOM 364 CA ILE A 27 -3.165 -7.634 1.928 1.00 0.00 C ATOM 365 C ILE A 27 -4.263 -6.661 2.362 1.00 0.00 C ATOM 366 O ILE A 27 -5.445 -6.911 2.133 1.00 0.00 O ATOM 367 CB ILE A 27 -2.828 -7.556 0.437 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.395 -8.024 0.174 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.081 -6.149 -0.109 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.003 -9.154 1.128 1.00 0.00 C ATOM 0 H ILE A 27 -3.656 -9.627 1.505 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.255 -7.343 2.453 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.492 -8.234 -0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.304 -8.366 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.707 -7.187 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.834 -6.121 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.131 -5.890 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.459 -5.433 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.020 -9.468 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.072 -8.802 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.677 -9.999 0.988 1.00 0.00 H new ATOM 381 N THR A 28 -3.832 -5.572 2.981 1.00 0.00 N ATOM 382 CA THR A 28 -4.763 -4.560 3.450 1.00 0.00 C ATOM 383 C THR A 28 -4.205 -3.160 3.188 1.00 0.00 C ATOM 384 O THR A 28 -3.012 -3.000 2.936 1.00 0.00 O ATOM 385 CB THR A 28 -5.054 -4.832 4.927 1.00 0.00 C ATOM 386 OG1 THR A 28 -3.801 -5.261 5.454 1.00 0.00 O ATOM 387 CG2 THR A 28 -5.976 -6.035 5.131 1.00 0.00 C ATOM 0 H THR A 28 -2.850 -5.368 3.169 1.00 0.00 H new ATOM 0 HA THR A 28 -5.706 -4.607 2.905 1.00 0.00 H new ATOM 0 HB THR A 28 -5.507 -3.948 5.376 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.898 -5.457 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.150 -6.184 6.197 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.927 -5.854 4.630 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.509 -6.926 4.712 1.00 0.00 H new ATOM 395 N PRO A 29 -5.119 -2.154 3.258 1.00 0.00 N ATOM 396 CA PRO A 29 -4.731 -0.773 3.031 1.00 0.00 C ATOM 397 C PRO A 29 -3.970 -0.213 4.236 1.00 0.00 C ATOM 398 O PRO A 29 -3.580 0.954 4.239 1.00 0.00 O ATOM 399 CB PRO A 29 -6.033 -0.038 2.756 1.00 0.00 C ATOM 400 CG PRO A 29 -7.138 -0.933 3.296 1.00 0.00 C ATOM 401 CD PRO A 29 -6.541 -2.307 3.554 1.00 0.00 C ATOM 0 HA PRO A 29 -4.042 -0.661 2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.044 0.935 3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.162 0.142 1.689 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.551 -0.517 4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.958 -1.001 2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.699 -2.620 4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -6.999 -3.064 2.917 1.00 0.00 H new ATOM 406 N GLU A 30 -3.784 -1.070 5.228 1.00 0.00 N ATOM 407 CA GLU A 30 -3.077 -0.675 6.435 1.00 0.00 C ATOM 408 C GLU A 30 -1.623 -1.147 6.378 1.00 0.00 C ATOM 409 O GLU A 30 -0.889 -1.027 7.357 1.00 0.00 O ATOM 410 CB GLU A 30 -3.780 -1.214 7.682 1.00 0.00 C ATOM 411 CG GLU A 30 -3.935 -2.735 7.612 1.00 0.00 C ATOM 412 CD GLU A 30 -3.589 -3.384 8.953 1.00 0.00 C ATOM 413 OE1 GLU A 30 -2.663 -2.929 9.642 1.00 0.00 O ATOM 414 OE2 GLU A 30 -4.322 -4.395 9.274 1.00 0.00 O ATOM 0 H GLU A 30 -4.110 -2.036 5.221 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.082 0.413 6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.209 -0.944 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.761 -0.749 7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.959 -2.987 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.286 -3.135 6.832 1.00 0.00 H new ATOM 420 N LYS A 31 -1.252 -1.675 5.221 1.00 0.00 N ATOM 421 CA LYS A 31 0.102 -2.167 5.022 1.00 0.00 C ATOM 422 C LYS A 31 1.092 -1.019 5.233 1.00 0.00 C ATOM 423 O LYS A 31 0.689 0.133 5.383 1.00 0.00 O ATOM 424 CB LYS A 31 0.230 -2.848 3.658 1.00 0.00 C ATOM 425 CG LYS A 31 -0.404 -4.239 3.678 1.00 0.00 C ATOM 426 CD LYS A 31 0.614 -5.311 3.282 1.00 0.00 C ATOM 427 CE LYS A 31 0.399 -5.762 1.835 1.00 0.00 C ATOM 428 NZ LYS A 31 1.222 -4.949 0.912 1.00 0.00 N ATOM 0 H LYS A 31 -1.865 -1.773 4.411 1.00 0.00 H new ATOM 0 HA LYS A 31 0.341 -2.935 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.252 -2.236 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.282 -2.928 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.792 -4.451 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.251 -4.266 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.624 -4.919 3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.525 -6.167 3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.661 -6.815 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.654 -5.668 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.601 -4.379 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.841 -4.319 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.804 -5.577 0.322 1.00 0.00 H new ATOM 437 N SER A 32 2.368 -1.374 5.236 1.00 0.00 N ATOM 438 CA SER A 32 3.419 -0.389 5.426 1.00 0.00 C ATOM 439 C SER A 32 4.537 -0.614 4.405 1.00 0.00 C ATOM 440 O SER A 32 5.638 -0.086 4.559 1.00 0.00 O ATOM 441 CB SER A 32 3.979 -0.447 6.848 1.00 0.00 C ATOM 442 OG SER A 32 4.216 0.852 7.382 1.00 0.00 O ATOM 0 H SER A 32 2.698 -2.331 5.110 1.00 0.00 H new ATOM 0 HA SER A 32 2.991 0.602 5.274 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.280 -0.981 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.910 -1.014 6.848 1.00 0.00 H new ATOM 0 HG SER A 32 4.572 0.772 8.292 1.00 0.00 H new ATOM 447 N PHE A 33 4.217 -1.398 3.387 1.00 0.00 N ATOM 448 CA PHE A 33 5.180 -1.699 2.342 1.00 0.00 C ATOM 449 C PHE A 33 6.163 -2.779 2.797 1.00 0.00 C ATOM 450 O PHE A 33 6.562 -3.634 2.007 1.00 0.00 O ATOM 451 CB PHE A 33 5.954 -0.409 2.062 1.00 0.00 C ATOM 452 CG PHE A 33 6.263 -0.179 0.581 1.00 0.00 C ATOM 453 CD1 PHE A 33 5.363 0.466 -0.209 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.438 -0.618 0.056 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.650 0.680 -1.584 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.726 -0.404 -1.318 1.00 0.00 C ATOM 457 CZ PHE A 33 6.825 0.241 -2.109 1.00 0.00 C ATOM 0 H PHE A 33 3.303 -1.834 3.263 1.00 0.00 H new ATOM 0 HA PHE A 33 4.663 -2.065 1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.379 0.437 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.891 -0.431 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.430 0.815 0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.152 -1.130 0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.935 1.191 -2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.659 -0.753 -1.735 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.044 0.404 -3.154 1.00 0.00 H new ATOM 466 N VAL A 34 6.524 -2.707 4.069 1.00 0.00 N ATOM 467 CA VAL A 34 7.453 -3.668 4.640 1.00 0.00 C ATOM 468 C VAL A 34 6.947 -4.107 6.016 1.00 0.00 C ATOM 469 O VAL A 34 6.749 -5.296 6.259 1.00 0.00 O ATOM 470 CB VAL A 34 8.862 -3.074 4.682 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.485 -3.240 6.070 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.753 -3.694 3.603 1.00 0.00 C ATOM 0 H VAL A 34 6.190 -1.998 4.721 1.00 0.00 H new ATOM 0 HA VAL A 34 7.510 -4.560 4.016 1.00 0.00 H new ATOM 0 HB VAL A 34 8.781 -2.007 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.486 -2.810 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.868 -2.729 6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.545 -4.300 6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.749 -3.253 3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.823 -4.770 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.322 -3.501 2.620 1.00 0.00 H new ATOM 482 N ASP A 35 6.753 -3.121 6.879 1.00 0.00 N ATOM 483 CA ASP A 35 6.273 -3.389 8.225 1.00 0.00 C ATOM 484 C ASP A 35 5.235 -4.513 8.178 1.00 0.00 C ATOM 485 O ASP A 35 5.110 -5.288 9.124 1.00 0.00 O ATOM 486 CB ASP A 35 5.604 -2.153 8.828 1.00 0.00 C ATOM 487 CG ASP A 35 5.623 -2.088 10.356 1.00 0.00 C ATOM 488 OD1 ASP A 35 4.579 -1.910 11.001 1.00 0.00 O ATOM 489 OD2 ASP A 35 6.787 -2.231 10.894 1.00 0.00 O ATOM 0 H ASP A 35 6.919 -2.136 6.673 1.00 0.00 H new ATOM 0 HA ASP A 35 7.129 -3.671 8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.097 -1.264 8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.568 -2.118 8.491 1.00 0.00 H new ATOM 494 N ASP A 36 4.516 -4.565 7.065 1.00 0.00 N ATOM 495 CA ASP A 36 3.494 -5.580 6.881 1.00 0.00 C ATOM 496 C ASP A 36 4.015 -6.656 5.927 1.00 0.00 C ATOM 497 O ASP A 36 4.197 -7.807 6.323 1.00 0.00 O ATOM 498 CB ASP A 36 2.225 -4.980 6.271 1.00 0.00 C ATOM 499 CG ASP A 36 0.946 -5.216 7.077 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.172 -6.140 6.790 1.00 0.00 O ATOM 501 OD2 ASP A 36 0.756 -4.391 8.050 1.00 0.00 O ATOM 0 H ASP A 36 4.622 -3.920 6.282 1.00 0.00 H new ATOM 0 HA ASP A 36 3.259 -6.003 7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.369 -3.906 6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.089 -5.395 5.272 1.00 0.00 H new ATOM 506 N LEU A 37 4.241 -6.244 4.688 1.00 0.00 N ATOM 507 CA LEU A 37 4.738 -7.158 3.675 1.00 0.00 C ATOM 508 C LEU A 37 5.876 -7.994 4.261 1.00 0.00 C ATOM 509 O LEU A 37 5.828 -9.224 4.233 1.00 0.00 O ATOM 510 CB LEU A 37 5.126 -6.394 2.408 1.00 0.00 C ATOM 511 CG LEU A 37 3.966 -5.892 1.545 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.469 -4.969 0.432 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.146 -7.060 0.994 1.00 0.00 C ATOM 0 H LEU A 37 4.089 -5.289 4.363 1.00 0.00 H new ATOM 0 HA LEU A 37 3.955 -7.853 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.735 -5.537 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.755 -7.041 1.796 1.00 0.00 H new ATOM 0 HG LEU A 37 3.302 -5.302 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.625 -4.627 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.974 -4.109 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.167 -5.513 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.328 -6.675 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.785 -7.697 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.739 -7.641 1.821 1.00 0.00 H new ATOM 524 N ASP A 38 6.876 -7.294 4.779 1.00 0.00 N ATOM 525 CA ASP A 38 8.025 -7.957 5.371 1.00 0.00 C ATOM 526 C ASP A 38 8.822 -8.666 4.274 1.00 0.00 C ATOM 527 O ASP A 38 9.702 -9.474 4.565 1.00 0.00 O ATOM 528 CB ASP A 38 7.589 -9.009 6.393 1.00 0.00 C ATOM 529 CG ASP A 38 8.475 -9.109 7.637 1.00 0.00 C ATOM 530 OD1 ASP A 38 9.384 -9.949 7.707 1.00 0.00 O ATOM 531 OD2 ASP A 38 8.197 -8.265 8.572 1.00 0.00 O ATOM 0 H ASP A 38 6.913 -6.275 4.801 1.00 0.00 H new ATOM 0 HA ASP A 38 8.630 -7.200 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.570 -8.787 6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.566 -9.982 5.903 1.00 0.00 H new ATOM 536 N ILE A 39 8.484 -8.336 3.036 1.00 0.00 N ATOM 537 CA ILE A 39 9.157 -8.932 1.893 1.00 0.00 C ATOM 538 C ILE A 39 10.275 -7.999 1.423 1.00 0.00 C ATOM 539 O ILE A 39 11.152 -8.410 0.664 1.00 0.00 O ATOM 540 CB ILE A 39 8.147 -9.283 0.800 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.582 -10.531 0.030 1.00 0.00 C ATOM 542 CG2 ILE A 39 7.910 -8.090 -0.130 1.00 0.00 C ATOM 543 CD1 ILE A 39 9.957 -10.330 -0.609 1.00 0.00 C ATOM 0 H ILE A 39 7.754 -7.664 2.799 1.00 0.00 H new ATOM 0 HA ILE A 39 9.626 -9.875 2.175 1.00 0.00 H new ATOM 0 HB ILE A 39 7.195 -9.515 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.612 -11.387 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.848 -10.760 -0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.188 -8.366 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.523 -7.250 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.850 -7.804 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.242 -11.232 -1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.917 -9.489 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.693 -10.125 0.168 1.00 0.00 H new ATOM 554 N ASP A 40 10.206 -6.762 1.892 1.00 0.00 N ATOM 555 CA ASP A 40 11.202 -5.769 1.528 1.00 0.00 C ATOM 556 C ASP A 40 10.750 -5.041 0.260 1.00 0.00 C ATOM 557 O ASP A 40 9.619 -5.215 -0.190 1.00 0.00 O ATOM 558 CB ASP A 40 12.555 -6.423 1.241 1.00 0.00 C ATOM 559 CG ASP A 40 13.772 -5.536 1.508 1.00 0.00 C ATOM 560 OD1 ASP A 40 13.920 -4.965 2.599 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.602 -5.438 0.525 1.00 0.00 O ATOM 0 H ASP A 40 9.477 -6.425 2.520 1.00 0.00 H new ATOM 0 HA ASP A 40 11.307 -5.076 2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.642 -7.325 1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.575 -6.737 0.198 1.00 0.00 H new ATOM 566 N SER A 41 11.657 -4.241 -0.280 1.00 0.00 N ATOM 567 CA SER A 41 11.367 -3.486 -1.487 1.00 0.00 C ATOM 568 C SER A 41 11.739 -4.310 -2.721 1.00 0.00 C ATOM 569 O SER A 41 11.565 -3.855 -3.851 1.00 0.00 O ATOM 570 CB SER A 41 12.114 -2.150 -1.495 1.00 0.00 C ATOM 571 OG SER A 41 13.527 -2.329 -1.455 1.00 0.00 O ATOM 0 H SER A 41 12.594 -4.099 0.097 1.00 0.00 H new ATOM 0 HA SER A 41 10.298 -3.273 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.845 -1.589 -2.390 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.800 -1.554 -0.639 1.00 0.00 H new ATOM 0 HG SER A 41 13.968 -1.454 -1.463 1.00 0.00 H new ATOM 576 N LEU A 42 12.243 -5.508 -2.465 1.00 0.00 N ATOM 577 CA LEU A 42 12.641 -6.399 -3.540 1.00 0.00 C ATOM 578 C LEU A 42 11.400 -6.831 -4.324 1.00 0.00 C ATOM 579 O LEU A 42 11.199 -6.406 -5.460 1.00 0.00 O ATOM 580 CB LEU A 42 13.461 -7.569 -2.993 1.00 0.00 C ATOM 581 CG LEU A 42 14.863 -7.738 -3.580 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.825 -8.322 -2.542 1.00 0.00 C ATOM 583 CD2 LEU A 42 14.825 -8.574 -4.860 1.00 0.00 C ATOM 0 H LEU A 42 12.385 -5.882 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 42 13.297 -5.881 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.553 -7.449 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.903 -8.490 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 42 15.241 -6.752 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.815 -8.432 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.884 -7.653 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.462 -9.297 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.835 -8.679 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.418 -9.561 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.195 -8.079 -5.599 1.00 0.00 H new ATOM 594 N SER A 43 10.599 -7.672 -3.684 1.00 0.00 N ATOM 595 CA SER A 43 9.383 -8.167 -4.307 1.00 0.00 C ATOM 596 C SER A 43 8.450 -6.999 -4.633 1.00 0.00 C ATOM 597 O SER A 43 7.905 -6.924 -5.735 1.00 0.00 O ATOM 598 CB SER A 43 8.673 -9.177 -3.403 1.00 0.00 C ATOM 599 OG SER A 43 7.646 -9.883 -4.094 1.00 0.00 O ATOM 0 H SER A 43 10.769 -8.022 -2.741 1.00 0.00 H new ATOM 0 HA SER A 43 9.655 -8.676 -5.232 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.401 -9.888 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.243 -8.657 -2.547 1.00 0.00 H new ATOM 0 HG SER A 43 7.809 -10.847 -4.026 1.00 0.00 H new ATOM 604 N MET A 44 8.294 -6.117 -3.658 1.00 0.00 N ATOM 605 CA MET A 44 7.436 -4.957 -3.828 1.00 0.00 C ATOM 606 C MET A 44 7.717 -4.258 -5.160 1.00 0.00 C ATOM 607 O MET A 44 6.807 -3.717 -5.785 1.00 0.00 O ATOM 608 CB MET A 44 7.669 -3.976 -2.677 1.00 0.00 C ATOM 609 CG MET A 44 6.617 -4.155 -1.581 1.00 0.00 C ATOM 610 SD MET A 44 5.524 -2.745 -1.547 1.00 0.00 S ATOM 611 CE MET A 44 4.407 -3.187 -2.867 1.00 0.00 C ATOM 0 H MET A 44 8.747 -6.182 -2.747 1.00 0.00 H new ATOM 0 HA MET A 44 6.399 -5.292 -3.827 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.664 -4.130 -2.259 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.636 -2.954 -3.054 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.044 -5.065 -1.760 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.105 -4.271 -0.613 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.654 -2.408 -2.982 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.966 -3.292 -3.797 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.918 -4.132 -2.629 1.00 0.00 H new ATOM 619 N VAL A 45 8.981 -4.293 -5.554 1.00 0.00 N ATOM 620 CA VAL A 45 9.393 -3.669 -6.800 1.00 0.00 C ATOM 621 C VAL A 45 8.639 -4.317 -7.963 1.00 0.00 C ATOM 622 O VAL A 45 8.257 -3.637 -8.916 1.00 0.00 O ATOM 623 CB VAL A 45 10.913 -3.756 -6.951 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.295 -4.512 -8.225 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.546 -2.363 -6.929 1.00 0.00 C ATOM 0 H VAL A 45 9.733 -4.743 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 45 9.140 -2.609 -6.798 1.00 0.00 H new ATOM 0 HB VAL A 45 11.303 -4.315 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.381 -4.559 -8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.890 -5.523 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.887 -3.993 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.627 -2.453 -7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.146 -1.769 -7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.316 -1.874 -5.982 1.00 0.00 H new ATOM 635 N GLU A 46 8.446 -5.623 -7.848 1.00 0.00 N ATOM 636 CA GLU A 46 7.745 -6.369 -8.878 1.00 0.00 C ATOM 637 C GLU A 46 6.258 -6.009 -8.876 1.00 0.00 C ATOM 638 O GLU A 46 5.710 -5.609 -9.902 1.00 0.00 O ATOM 639 CB GLU A 46 7.945 -7.876 -8.696 1.00 0.00 C ATOM 640 CG GLU A 46 8.658 -8.484 -9.905 1.00 0.00 C ATOM 641 CD GLU A 46 10.115 -8.814 -9.573 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.446 -9.053 -8.402 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.917 -8.818 -10.583 1.00 0.00 O ATOM 0 H GLU A 46 8.763 -6.183 -7.057 1.00 0.00 H new ATOM 0 HA GLU A 46 8.164 -6.094 -9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.528 -8.063 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.979 -8.361 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.139 -9.389 -10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.621 -7.787 -10.742 1.00 0.00 H new ATOM 649 N ILE A 47 5.647 -6.165 -7.710 1.00 0.00 N ATOM 650 CA ILE A 47 4.234 -5.860 -7.560 1.00 0.00 C ATOM 651 C ILE A 47 3.915 -4.560 -8.301 1.00 0.00 C ATOM 652 O ILE A 47 2.872 -4.449 -8.945 1.00 0.00 O ATOM 653 CB ILE A 47 3.845 -5.837 -6.080 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.695 -7.256 -5.530 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.584 -5.000 -5.858 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.310 -7.371 -4.133 1.00 0.00 C ATOM 0 H ILE A 47 6.104 -6.498 -6.861 1.00 0.00 H new ATOM 0 HA ILE A 47 3.625 -6.642 -8.013 1.00 0.00 H new ATOM 0 HB ILE A 47 4.651 -5.360 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.639 -7.524 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.178 -7.964 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.329 -5.000 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.764 -3.977 -6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.759 -5.426 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.190 -8.390 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.371 -7.126 -4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.808 -6.679 -3.456 1.00 0.00 H new ATOM 667 N ALA A 48 4.830 -3.611 -8.184 1.00 0.00 N ATOM 668 CA ALA A 48 4.660 -2.323 -8.835 1.00 0.00 C ATOM 669 C ALA A 48 4.925 -2.474 -10.334 1.00 0.00 C ATOM 670 O ALA A 48 4.119 -2.043 -11.157 1.00 0.00 O ATOM 671 CB ALA A 48 5.584 -1.293 -8.181 1.00 0.00 C ATOM 0 H ALA A 48 5.692 -3.707 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 48 3.637 -1.966 -8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.456 -0.327 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.335 -1.200 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.620 -1.617 -8.283 1.00 0.00 H new ATOM 677 N VAL A 49 6.058 -3.088 -10.643 1.00 0.00 N ATOM 678 CA VAL A 49 6.440 -3.301 -12.029 1.00 0.00 C ATOM 679 C VAL A 49 5.239 -3.848 -12.805 1.00 0.00 C ATOM 680 O VAL A 49 5.133 -3.646 -14.014 1.00 0.00 O ATOM 681 CB VAL A 49 7.664 -4.217 -12.099 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.254 -5.658 -12.408 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.674 -3.702 -13.126 1.00 0.00 C ATOM 0 H VAL A 49 6.724 -3.445 -9.957 1.00 0.00 H new ATOM 0 HA VAL A 49 6.728 -2.359 -12.496 1.00 0.00 H new ATOM 0 HB VAL A 49 8.146 -4.209 -11.121 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.143 -6.288 -12.452 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.589 -6.023 -11.625 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.738 -5.692 -13.367 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.535 -4.370 -13.157 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.207 -3.667 -14.110 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.002 -2.701 -12.844 1.00 0.00 H new ATOM 693 N GLN A 50 4.366 -4.530 -12.079 1.00 0.00 N ATOM 694 CA GLN A 50 3.178 -5.106 -12.685 1.00 0.00 C ATOM 695 C GLN A 50 2.031 -4.094 -12.672 1.00 0.00 C ATOM 696 O GLN A 50 1.516 -3.721 -13.725 1.00 0.00 O ATOM 697 CB GLN A 50 2.774 -6.401 -11.975 1.00 0.00 C ATOM 698 CG GLN A 50 3.906 -7.430 -12.027 1.00 0.00 C ATOM 699 CD GLN A 50 3.415 -8.807 -11.575 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.707 -9.098 -10.311 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.812 -9.556 -12.326 1.00 0.00 N flip ATOM 0 H GLN A 50 4.458 -4.697 -11.077 1.00 0.00 H new ATOM 0 HA GLN A 50 3.406 -5.353 -13.722 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.520 -6.187 -10.937 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.881 -6.814 -12.444 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.298 -7.495 -13.042 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.728 -7.105 -11.389 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.620 -9.270 -13.286 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.499 -10.468 -11.994 1.00 0.00 H new ATOM 708 N THR A 51 1.665 -3.677 -11.469 1.00 0.00 N ATOM 709 CA THR A 51 0.588 -2.715 -11.306 1.00 0.00 C ATOM 710 C THR A 51 0.832 -1.488 -12.187 1.00 0.00 C ATOM 711 O THR A 51 -0.109 -0.919 -12.737 1.00 0.00 O ATOM 712 CB THR A 51 0.474 -2.381 -9.817 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.336 -3.428 -9.288 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.342 -1.112 -9.562 1.00 0.00 C ATOM 0 H THR A 51 2.095 -3.988 -10.598 1.00 0.00 H new ATOM 0 HA THR A 51 -0.365 -3.128 -11.635 1.00 0.00 H new ATOM 0 HB THR A 51 1.471 -2.261 -9.394 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.089 -3.592 -8.354 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.392 -0.921 -8.490 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.134 -0.267 -10.060 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.350 -1.243 -9.954 1.00 0.00 H new ATOM 722 N GLU A 52 2.099 -1.117 -12.293 1.00 0.00 N ATOM 723 CA GLU A 52 2.478 0.032 -13.097 1.00 0.00 C ATOM 724 C GLU A 52 2.407 -0.316 -14.585 1.00 0.00 C ATOM 725 O GLU A 52 2.617 0.545 -15.439 1.00 0.00 O ATOM 726 CB GLU A 52 3.872 0.532 -12.717 1.00 0.00 C ATOM 727 CG GLU A 52 3.826 1.359 -11.430 1.00 0.00 C ATOM 728 CD GLU A 52 5.231 1.789 -11.005 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.969 2.382 -11.807 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.550 1.488 -9.792 1.00 0.00 O ATOM 0 H GLU A 52 2.877 -1.592 -11.835 1.00 0.00 H new ATOM 0 HA GLU A 52 1.773 0.839 -12.898 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.543 -0.317 -12.584 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.279 1.136 -13.528 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.202 2.240 -11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.364 0.775 -10.634 1.00 0.00 H new ATOM 736 N ASP A 53 2.111 -1.580 -14.852 1.00 0.00 N ATOM 737 CA ASP A 53 2.010 -2.052 -16.222 1.00 0.00 C ATOM 738 C ASP A 53 0.573 -2.497 -16.499 1.00 0.00 C ATOM 739 O ASP A 53 -0.098 -1.936 -17.365 1.00 0.00 O ATOM 740 CB ASP A 53 2.930 -3.251 -16.461 1.00 0.00 C ATOM 741 CG ASP A 53 3.815 -3.151 -17.704 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.028 -2.915 -17.607 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.201 -3.326 -18.826 1.00 0.00 O ATOM 0 H ASP A 53 1.938 -2.292 -14.142 1.00 0.00 H new ATOM 0 HA ASP A 53 2.303 -1.235 -16.882 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.570 -3.378 -15.588 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.318 -4.149 -16.541 1.00 0.00 H new ATOM 748 N LYS A 54 0.142 -3.499 -15.749 1.00 0.00 N ATOM 749 CA LYS A 54 -1.203 -4.026 -15.903 1.00 0.00 C ATOM 750 C LYS A 54 -2.188 -2.863 -16.043 1.00 0.00 C ATOM 751 O LYS A 54 -3.109 -2.919 -16.857 1.00 0.00 O ATOM 752 CB LYS A 54 -1.540 -4.981 -14.756 1.00 0.00 C ATOM 753 CG LYS A 54 -1.216 -6.428 -15.135 1.00 0.00 C ATOM 754 CD LYS A 54 -0.952 -7.275 -13.889 1.00 0.00 C ATOM 755 CE LYS A 54 -1.964 -8.418 -13.778 1.00 0.00 C ATOM 756 NZ LYS A 54 -2.040 -8.910 -12.385 1.00 0.00 N ATOM 0 H LYS A 54 0.701 -3.961 -15.032 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.277 -4.620 -16.814 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.977 -4.699 -13.866 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.597 -4.895 -14.505 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.045 -6.854 -15.700 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.342 -6.450 -15.786 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.058 -7.682 -13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.008 -6.647 -13.000 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.946 -8.075 -14.103 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.676 -9.233 -14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.790 -9.626 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.129 -9.334 -12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.254 -8.116 -11.748 1.00 0.00 H new ATOM 765 N TYR A 55 -1.960 -1.836 -15.238 1.00 0.00 N ATOM 766 CA TYR A 55 -2.815 -0.661 -15.262 1.00 0.00 C ATOM 767 C TYR A 55 -2.161 0.476 -16.049 1.00 0.00 C ATOM 768 O TYR A 55 -2.818 1.137 -16.853 1.00 0.00 O ATOM 769 CB TYR A 55 -2.979 -0.228 -13.804 1.00 0.00 C ATOM 770 CG TYR A 55 -4.426 -0.238 -13.310 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.437 0.225 -14.129 1.00 0.00 C ATOM 772 CD2 TYR A 55 -4.723 -0.709 -12.048 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.800 0.217 -13.664 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.086 -0.717 -11.583 1.00 0.00 C ATOM 775 CZ TYR A 55 -7.057 -0.254 -12.415 1.00 0.00 C ATOM 776 OH TYR A 55 -8.345 -0.262 -11.976 1.00 0.00 O ATOM 0 H TYR A 55 -1.195 -1.793 -14.565 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.768 -0.889 -15.739 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.386 -0.888 -13.171 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.573 0.777 -13.686 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.206 0.593 -15.118 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.933 -1.072 -11.408 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.600 0.577 -14.294 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.331 -1.082 -10.597 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.854 -0.939 -12.469 1.00 0.00 H new ATOM 785 N GLY A 56 -0.877 0.671 -15.790 1.00 0.00 N ATOM 786 CA GLY A 56 -0.128 1.718 -16.465 1.00 0.00 C ATOM 787 C GLY A 56 -0.049 2.979 -15.601 1.00 0.00 C ATOM 788 O GLY A 56 -0.174 4.092 -16.109 1.00 0.00 O ATOM 0 H GLY A 56 -0.336 0.122 -15.122 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.878 1.363 -16.690 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.603 1.954 -17.417 1.00 0.00 H new ATOM 792 N VAL A 57 0.157 2.762 -14.311 1.00 0.00 N ATOM 793 CA VAL A 57 0.253 3.867 -13.372 1.00 0.00 C ATOM 794 C VAL A 57 1.723 4.254 -13.198 1.00 0.00 C ATOM 795 O VAL A 57 2.611 3.415 -13.337 1.00 0.00 O ATOM 796 CB VAL A 57 -0.428 3.494 -12.054 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.947 3.420 -12.223 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.128 2.180 -11.501 1.00 0.00 C ATOM 0 H VAL A 57 0.260 1.837 -13.893 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.271 4.742 -13.756 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.210 4.280 -11.331 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.406 3.153 -11.271 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.324 4.389 -12.549 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.194 2.665 -12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.373 1.939 -10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.044 1.380 -12.221 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.198 2.284 -11.323 1.00 0.00 H new ATOM 808 N LYS A 58 1.934 5.528 -12.894 1.00 0.00 N ATOM 809 CA LYS A 58 3.280 6.037 -12.699 1.00 0.00 C ATOM 810 C LYS A 58 3.591 6.081 -11.201 1.00 0.00 C ATOM 811 O LYS A 58 2.928 6.790 -10.447 1.00 0.00 O ATOM 812 CB LYS A 58 3.451 7.384 -13.403 1.00 0.00 C ATOM 813 CG LYS A 58 2.378 8.377 -12.955 1.00 0.00 C ATOM 814 CD LYS A 58 1.146 8.298 -13.859 1.00 0.00 C ATOM 815 CE LYS A 58 -0.143 8.379 -13.038 1.00 0.00 C ATOM 816 NZ LYS A 58 -0.637 9.773 -12.984 1.00 0.00 N ATOM 0 H LYS A 58 1.195 6.221 -12.778 1.00 0.00 H new ATOM 0 HA LYS A 58 4.010 5.370 -13.157 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.439 7.789 -13.186 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.394 7.244 -14.482 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.091 8.168 -11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.783 9.389 -12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.171 9.111 -14.585 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.164 7.366 -14.423 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.903 7.734 -13.479 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.039 8.012 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.666 9.771 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.174 10.275 -12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.418 10.254 -13.880 1.00 0.00 H new ATOM 825 N ILE A 59 4.601 5.315 -10.816 1.00 0.00 N ATOM 826 CA ILE A 59 5.009 5.259 -9.422 1.00 0.00 C ATOM 827 C ILE A 59 6.515 5.001 -9.346 1.00 0.00 C ATOM 828 O ILE A 59 6.946 3.957 -8.858 1.00 0.00 O ATOM 829 CB ILE A 59 4.170 4.231 -8.661 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.675 4.511 -8.826 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.582 4.170 -7.188 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.850 3.702 -7.824 1.00 0.00 C ATOM 0 H ILE A 59 5.149 4.728 -11.445 1.00 0.00 H new ATOM 0 HA ILE A 59 4.824 6.215 -8.931 1.00 0.00 H new ATOM 0 HB ILE A 59 4.362 3.248 -9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.483 5.575 -8.685 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.365 4.263 -9.841 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.970 3.432 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.632 3.887 -7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.437 5.148 -6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.791 3.921 -7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.025 2.638 -7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.145 3.970 -6.809 1.00 0.00 H new ATOM 843 N PRO A 60 7.295 5.995 -9.849 1.00 0.00 N ATOM 844 CA PRO A 60 8.743 5.887 -9.842 1.00 0.00 C ATOM 845 C PRO A 60 9.303 6.112 -8.437 1.00 0.00 C ATOM 846 O PRO A 60 8.562 6.451 -7.515 1.00 0.00 O ATOM 847 CB PRO A 60 9.221 6.924 -10.845 1.00 0.00 C ATOM 848 CG PRO A 60 8.060 7.889 -11.031 1.00 0.00 C ATOM 849 CD PRO A 60 6.819 7.245 -10.436 1.00 0.00 C ATOM 0 HA PRO A 60 9.091 4.893 -10.121 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.106 7.444 -10.478 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.495 6.456 -11.790 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.270 8.839 -10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.908 8.105 -12.089 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.362 7.887 -9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.063 7.061 -11.200 1.00 0.00 H new ATOM 854 N ASP A 61 10.608 5.914 -8.316 1.00 0.00 N ATOM 855 CA ASP A 61 11.277 6.091 -7.038 1.00 0.00 C ATOM 856 C ASP A 61 10.950 7.480 -6.485 1.00 0.00 C ATOM 857 O ASP A 61 10.737 7.640 -5.284 1.00 0.00 O ATOM 858 CB ASP A 61 12.795 5.989 -7.191 1.00 0.00 C ATOM 859 CG ASP A 61 13.410 4.682 -6.683 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.520 3.697 -7.428 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.789 4.702 -5.451 1.00 0.00 O ATOM 0 H ASP A 61 11.220 5.633 -9.082 1.00 0.00 H new ATOM 0 HA ASP A 61 10.930 5.307 -6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.048 6.106 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.256 6.821 -6.658 1.00 0.00 H new ATOM 866 N GLU A 62 10.921 8.450 -7.388 1.00 0.00 N ATOM 867 CA GLU A 62 10.624 9.820 -7.004 1.00 0.00 C ATOM 868 C GLU A 62 9.479 9.851 -5.990 1.00 0.00 C ATOM 869 O GLU A 62 9.386 10.774 -5.183 1.00 0.00 O ATOM 870 CB GLU A 62 10.294 10.672 -8.231 1.00 0.00 C ATOM 871 CG GLU A 62 11.473 10.713 -9.205 1.00 0.00 C ATOM 872 CD GLU A 62 12.006 12.140 -9.360 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.744 12.997 -8.503 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.715 12.345 -10.418 1.00 0.00 O ATOM 0 H GLU A 62 11.098 8.314 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 62 11.510 10.246 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.416 10.266 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.042 11.685 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.269 10.060 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.161 10.330 -10.176 1.00 0.00 H new ATOM 880 N ASP A 63 8.637 8.832 -6.065 1.00 0.00 N ATOM 881 CA ASP A 63 7.502 8.732 -5.163 1.00 0.00 C ATOM 882 C ASP A 63 7.608 7.435 -4.358 1.00 0.00 C ATOM 883 O ASP A 63 7.394 7.432 -3.147 1.00 0.00 O ATOM 884 CB ASP A 63 6.183 8.699 -5.938 1.00 0.00 C ATOM 885 CG ASP A 63 5.147 9.734 -5.494 1.00 0.00 C ATOM 886 OD1 ASP A 63 5.219 10.913 -5.871 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.222 9.279 -4.717 1.00 0.00 O ATOM 0 H ASP A 63 8.717 8.068 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 63 7.515 9.604 -4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.397 8.851 -6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.746 7.705 -5.841 1.00 0.00 H new ATOM 892 N LEU A 64 7.940 6.363 -5.064 1.00 0.00 N ATOM 893 CA LEU A 64 8.078 5.063 -4.430 1.00 0.00 C ATOM 894 C LEU A 64 8.933 5.203 -3.170 1.00 0.00 C ATOM 895 O LEU A 64 8.819 4.398 -2.246 1.00 0.00 O ATOM 896 CB LEU A 64 8.617 4.036 -5.427 1.00 0.00 C ATOM 897 CG LEU A 64 8.220 2.580 -5.172 1.00 0.00 C ATOM 898 CD1 LEU A 64 9.090 1.960 -4.077 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.729 2.466 -4.852 1.00 0.00 C ATOM 0 H LEU A 64 8.117 6.369 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 64 7.104 4.688 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.278 4.315 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.705 4.100 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 64 8.397 2.012 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.788 0.925 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.136 1.989 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.967 2.523 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.474 1.421 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.502 3.051 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.147 2.845 -5.692 1.00 0.00 H new ATOM 910 N ALA A 65 9.768 6.232 -3.171 1.00 0.00 N ATOM 911 CA ALA A 65 10.642 6.487 -2.038 1.00 0.00 C ATOM 912 C ALA A 65 9.804 6.974 -0.853 1.00 0.00 C ATOM 913 O ALA A 65 10.039 6.572 0.285 1.00 0.00 O ATOM 914 CB ALA A 65 11.721 7.493 -2.441 1.00 0.00 C ATOM 0 H ALA A 65 9.858 6.899 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 65 11.148 5.572 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.376 7.684 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.306 7.088 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.251 8.425 -2.753 1.00 0.00 H new ATOM 920 N GLY A 66 8.844 7.834 -1.162 1.00 0.00 N ATOM 921 CA GLY A 66 7.971 8.381 -0.138 1.00 0.00 C ATOM 922 C GLY A 66 6.887 7.373 0.253 1.00 0.00 C ATOM 923 O GLY A 66 6.606 7.188 1.437 1.00 0.00 O ATOM 0 H GLY A 66 8.652 8.165 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.558 8.649 0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.506 9.297 -0.502 1.00 0.00 H new ATOM 927 N LEU A 67 6.310 6.750 -0.763 1.00 0.00 N ATOM 928 CA LEU A 67 5.263 5.767 -0.540 1.00 0.00 C ATOM 929 C LEU A 67 5.614 4.925 0.688 1.00 0.00 C ATOM 930 O LEU A 67 6.690 4.330 0.751 1.00 0.00 O ATOM 931 CB LEU A 67 5.027 4.940 -1.805 1.00 0.00 C ATOM 932 CG LEU A 67 4.670 5.730 -3.066 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.993 4.832 -4.103 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.816 6.953 -2.723 1.00 0.00 C ATOM 0 H LEU A 67 6.547 6.906 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 67 4.315 6.261 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.926 4.358 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.225 4.229 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 67 5.594 6.097 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.750 5.419 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.668 4.021 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.078 4.415 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.576 7.497 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.894 6.629 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.369 7.605 -2.047 1.00 0.00 H new ATOM 945 N ARG A 68 4.686 4.899 1.633 1.00 0.00 N ATOM 946 CA ARG A 68 4.884 4.139 2.856 1.00 0.00 C ATOM 947 C ARG A 68 3.803 3.066 2.995 1.00 0.00 C ATOM 948 O ARG A 68 4.093 1.933 3.376 1.00 0.00 O ATOM 949 CB ARG A 68 4.849 5.051 4.083 1.00 0.00 C ATOM 950 CG ARG A 68 6.228 5.144 4.739 1.00 0.00 C ATOM 951 CD ARG A 68 6.121 5.039 6.261 1.00 0.00 C ATOM 952 NE ARG A 68 7.446 4.728 6.841 1.00 0.00 N ATOM 953 CZ ARG A 68 7.628 4.188 8.065 1.00 0.00 C ATOM 954 NH1 ARG A 68 6.570 3.894 8.849 1.00 0.00 N ATOM 955 NH2 ARG A 68 8.858 3.952 8.484 1.00 0.00 N ATOM 0 H ARG A 68 3.795 5.392 1.577 1.00 0.00 H new ATOM 0 HA ARG A 68 5.864 3.666 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.514 6.046 3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.125 4.669 4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.869 4.348 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.700 6.089 4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.745 5.976 6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.405 4.262 6.531 1.00 0.00 H new ATOM 0 HE ARG A 68 8.273 4.934 6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.623 4.079 8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.717 3.486 9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.653 4.177 7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.013 3.544 9.406 1.00 0.00 H new ATOM 964 N THR A 69 2.578 3.461 2.679 1.00 0.00 N ATOM 965 CA THR A 69 1.452 2.548 2.764 1.00 0.00 C ATOM 966 C THR A 69 0.655 2.560 1.458 1.00 0.00 C ATOM 967 O THR A 69 0.958 3.332 0.549 1.00 0.00 O ATOM 968 CB THR A 69 0.618 2.936 3.987 1.00 0.00 C ATOM 969 OG1 THR A 69 0.233 4.284 3.730 1.00 0.00 O ATOM 970 CG2 THR A 69 1.458 3.026 5.263 1.00 0.00 C ATOM 0 H THR A 69 2.341 4.402 2.364 1.00 0.00 H new ATOM 0 HA THR A 69 1.788 1.519 2.895 1.00 0.00 H new ATOM 0 HB THR A 69 -0.181 2.208 4.128 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.313 4.615 4.473 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.819 3.304 6.101 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.919 2.059 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.236 3.779 5.134 1.00 0.00 H new ATOM 978 N VAL A 70 -0.348 1.696 1.405 1.00 0.00 N ATOM 979 CA VAL A 70 -1.190 1.597 0.226 1.00 0.00 C ATOM 980 C VAL A 70 -1.849 2.953 -0.040 1.00 0.00 C ATOM 981 O VAL A 70 -1.869 3.426 -1.175 1.00 0.00 O ATOM 982 CB VAL A 70 -2.203 0.464 0.398 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.829 0.079 -0.943 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.559 -0.749 1.071 1.00 0.00 C ATOM 0 H VAL A 70 -0.596 1.058 2.161 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.591 1.348 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.001 0.824 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.545 -0.729 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.341 0.943 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.048 -0.252 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.301 -1.540 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.733 -1.109 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.184 -0.463 2.054 1.00 0.00 H new ATOM 994 N GLY A 71 -2.371 3.540 1.027 1.00 0.00 N ATOM 995 CA GLY A 71 -3.030 4.831 0.923 1.00 0.00 C ATOM 996 C GLY A 71 -2.090 5.878 0.321 1.00 0.00 C ATOM 997 O GLY A 71 -2.543 6.878 -0.234 1.00 0.00 O ATOM 0 H GLY A 71 -2.351 3.146 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.922 4.739 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.359 5.156 1.910 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.799 5.613 0.451 1.00 0.00 N ATOM 1002 CA ASP A 72 0.208 6.519 -0.075 1.00 0.00 C ATOM 1003 C ASP A 72 0.611 6.069 -1.481 1.00 0.00 C ATOM 1004 O ASP A 72 0.956 6.894 -2.325 1.00 0.00 O ATOM 1005 CB ASP A 72 1.463 6.515 0.800 1.00 0.00 C ATOM 1006 CG ASP A 72 2.191 7.857 0.893 1.00 0.00 C ATOM 1007 OD1 ASP A 72 2.689 8.241 1.962 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.238 8.530 -0.208 1.00 0.00 O ATOM 0 H ASP A 72 -0.427 4.783 0.913 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.218 7.522 -0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.185 6.199 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.156 5.769 0.411 1.00 0.00 H new ATOM 1013 N VAL A 73 0.552 4.762 -1.689 1.00 0.00 N ATOM 1014 CA VAL A 73 0.905 4.193 -2.977 1.00 0.00 C ATOM 1015 C VAL A 73 -0.297 4.287 -3.919 1.00 0.00 C ATOM 1016 O VAL A 73 -0.162 4.090 -5.126 1.00 0.00 O ATOM 1017 CB VAL A 73 1.411 2.760 -2.796 1.00 0.00 C ATOM 1018 CG1 VAL A 73 2.017 2.223 -4.094 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.415 2.675 -1.644 1.00 0.00 C ATOM 0 H VAL A 73 0.265 4.081 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 73 1.720 4.756 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 73 0.556 2.133 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.368 1.203 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.260 2.229 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.855 2.853 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.759 1.646 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.266 3.322 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.936 2.996 -0.719 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.446 4.590 -3.333 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.671 4.713 -4.104 1.00 0.00 C ATOM 1031 C VAL A 74 -2.951 6.193 -4.373 1.00 0.00 C ATOM 1032 O VAL A 74 -3.198 6.585 -5.514 1.00 0.00 O ATOM 1033 CB VAL A 74 -3.819 4.009 -3.379 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.167 4.377 -4.001 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.615 2.493 -3.372 1.00 0.00 C ATOM 0 H VAL A 74 -1.554 4.754 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.566 4.221 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.822 4.352 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.966 3.863 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.318 5.454 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.179 4.076 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.445 2.017 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.573 2.127 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.681 2.254 -2.863 1.00 0.00 H new ATOM 1045 N ALA A 75 -2.904 6.975 -3.306 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.150 8.403 -3.412 1.00 0.00 C ATOM 1047 C ALA A 75 -2.404 8.955 -4.629 1.00 0.00 C ATOM 1048 O ALA A 75 -3.015 9.536 -5.525 1.00 0.00 O ATOM 1049 CB ALA A 75 -2.734 9.092 -2.111 1.00 0.00 C ATOM 0 H ALA A 75 -2.699 6.647 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.212 8.599 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.919 10.163 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.313 8.685 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.673 8.919 -1.931 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.095 8.756 -4.621 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.259 9.227 -5.712 1.00 0.00 C ATOM 1057 C TYR A 76 -0.856 8.839 -7.066 1.00 0.00 C ATOM 1058 O TYR A 76 -0.581 9.483 -8.077 1.00 0.00 O ATOM 1059 CB TYR A 76 1.089 8.525 -5.544 1.00 0.00 C ATOM 1060 CG TYR A 76 2.170 9.012 -6.512 1.00 0.00 C ATOM 1061 CD1 TYR A 76 2.125 10.300 -7.005 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.189 8.163 -6.893 1.00 0.00 C ATOM 1063 CE1 TYR A 76 3.141 10.758 -7.916 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.206 8.620 -7.804 1.00 0.00 C ATOM 1065 CZ TYR A 76 4.131 9.896 -8.271 1.00 0.00 C ATOM 1066 OH TYR A 76 5.092 10.328 -9.131 1.00 0.00 O ATOM 0 H TYR A 76 -0.592 8.275 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.171 10.313 -5.687 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.438 8.672 -4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.948 7.453 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.327 10.965 -6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.224 7.155 -6.507 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.118 11.764 -8.309 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.009 7.966 -8.109 1.00 0.00 H new ATOM 0 HH TYR A 76 5.977 10.124 -8.762 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.663 7.787 -7.043 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.301 7.307 -8.256 1.00 0.00 C ATOM 1077 C ILE A 77 -3.568 8.123 -8.519 1.00 0.00 C ATOM 1078 O ILE A 77 -3.582 8.989 -9.393 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.548 5.799 -8.170 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.411 5.099 -7.422 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.774 5.200 -9.559 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.479 3.583 -7.616 1.00 0.00 C ATOM 0 H ILE A 77 -1.889 7.254 -6.203 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.645 7.452 -9.114 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.460 5.635 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.451 5.472 -7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.469 5.336 -6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.947 4.128 -9.469 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.642 5.670 -10.021 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.894 5.375 -10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.660 3.110 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.430 3.210 -7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.396 3.348 -8.677 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.601 7.819 -7.747 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.869 8.514 -7.885 1.00 0.00 C ATOM 1095 C GLN A 78 -5.653 10.028 -7.828 1.00 0.00 C ATOM 1096 O GLN A 78 -6.084 10.754 -8.724 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.863 8.061 -6.813 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.230 6.587 -6.994 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.762 5.991 -5.690 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -7.824 4.662 -5.687 1.00 0.00 O flip ATOM 1101 NE2 GLN A 78 -8.095 6.691 -4.747 1.00 0.00 N flip ATOM 0 H GLN A 78 -4.585 7.100 -7.023 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.295 8.263 -8.857 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.431 8.213 -5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.764 8.673 -6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.983 6.489 -7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.354 6.028 -7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.022 7.706 -4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.446 6.261 -3.891 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.989 10.460 -6.768 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.711 11.874 -6.582 1.00 0.00 C ATOM 1110 C LYS A 79 -4.329 12.494 -7.928 1.00 0.00 C ATOM 1111 O LYS A 79 -4.926 13.484 -8.350 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.657 12.075 -5.492 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.133 11.498 -4.157 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.176 12.409 -3.506 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.506 13.495 -2.661 1.00 0.00 C ATOM 1116 NZ LYS A 79 -5.226 14.780 -2.800 1.00 0.00 N ATOM 0 H LYS A 79 -4.634 9.855 -6.027 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.602 12.394 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.725 11.594 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.445 13.138 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.559 10.507 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.283 11.375 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.792 12.872 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.842 11.815 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.491 13.192 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.469 13.617 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.757 15.505 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.218 15.076 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.209 14.663 -2.481 1.00 0.00 H new ATOM 1125 N LEU A 80 -3.338 11.888 -8.563 1.00 0.00 N ATOM 1126 CA LEU A 80 -2.869 12.369 -9.852 1.00 0.00 C ATOM 1127 C LEU A 80 -4.018 12.311 -10.861 1.00 0.00 C ATOM 1128 O LEU A 80 -4.197 13.231 -11.657 1.00 0.00 O ATOM 1129 CB LEU A 80 -1.624 11.596 -10.292 1.00 0.00 C ATOM 1130 CG LEU A 80 -0.370 12.434 -10.543 1.00 0.00 C ATOM 1131 CD1 LEU A 80 -0.579 13.401 -11.711 1.00 0.00 C ATOM 1132 CD2 LEU A 80 0.069 13.161 -9.270 1.00 0.00 C ATOM 0 H LEU A 80 -2.846 11.068 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.559 13.412 -9.780 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.394 10.852 -9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.862 11.052 -11.206 1.00 0.00 H new ATOM 0 HG LEU A 80 0.439 11.759 -10.824 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.328 13.984 -11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.807 12.836 -12.615 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.407 14.072 -11.484 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.963 13.749 -9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.730 13.821 -8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.288 12.431 -8.491 1.00 0.00 H new ATOM 1143 N GLU A 81 -4.767 11.219 -10.795 1.00 0.00 N ATOM 1144 CA GLU A 81 -5.893 11.027 -11.693 1.00 0.00 C ATOM 1145 C GLU A 81 -6.827 12.238 -11.637 1.00 0.00 C ATOM 1146 O GLU A 81 -6.974 12.959 -12.622 1.00 0.00 O ATOM 1147 CB GLU A 81 -6.646 9.737 -11.362 1.00 0.00 C ATOM 1148 CG GLU A 81 -6.898 8.911 -12.625 1.00 0.00 C ATOM 1149 CD GLU A 81 -8.373 8.957 -13.025 1.00 0.00 C ATOM 1150 OE1 GLU A 81 -9.163 8.111 -12.580 1.00 0.00 O ATOM 1151 OE2 GLU A 81 -8.691 9.916 -13.826 1.00 0.00 O ATOM 0 H GLU A 81 -4.615 10.458 -10.133 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.511 10.933 -12.709 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.071 9.149 -10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.596 9.978 -10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.284 9.292 -13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.596 7.878 -12.454 1.00 0.00 H new ATOM 1157 N GLU A 82 -7.435 12.422 -10.474 1.00 0.00 N ATOM 1158 CA GLU A 82 -8.352 13.532 -10.277 1.00 0.00 C ATOM 1159 C GLU A 82 -7.923 14.366 -9.067 1.00 0.00 C ATOM 1160 O GLU A 82 -7.031 15.206 -9.172 1.00 0.00 O ATOM 1161 CB GLU A 82 -9.790 13.035 -10.117 1.00 0.00 C ATOM 1162 CG GLU A 82 -9.826 11.684 -9.398 1.00 0.00 C ATOM 1163 CD GLU A 82 -11.178 11.462 -8.717 1.00 0.00 C ATOM 1164 OE1 GLU A 82 -12.219 11.464 -9.390 1.00 0.00 O ATOM 1165 OE2 GLU A 82 -11.123 11.284 -7.441 1.00 0.00 O ATOM 0 H GLU A 82 -7.311 11.821 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.319 14.166 -11.163 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.371 13.766 -9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.258 12.942 -11.097 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.639 10.882 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.029 11.642 -8.655 1.00 0.00 H new ATOM 1171 N GLU A 83 -8.580 14.104 -7.946 1.00 0.00 N ATOM 1172 CA GLU A 83 -8.277 14.820 -6.718 1.00 0.00 C ATOM 1173 C GLU A 83 -8.696 13.989 -5.504 1.00 0.00 C ATOM 1174 O GLU A 83 -7.847 13.457 -4.789 1.00 0.00 O ATOM 1175 CB GLU A 83 -8.953 16.193 -6.703 1.00 0.00 C ATOM 1176 CG GLU A 83 -8.420 17.078 -7.831 1.00 0.00 C ATOM 1177 CD GLU A 83 -8.780 18.546 -7.591 1.00 0.00 C ATOM 1178 OE1 GLU A 83 -9.768 19.042 -8.153 1.00 0.00 O ATOM 1179 OE2 GLU A 83 -7.992 19.176 -6.788 1.00 0.00 O ATOM 0 H GLU A 83 -9.320 13.407 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.200 14.982 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.031 16.073 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.779 16.678 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.337 16.972 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.835 16.749 -8.784 1.00 0.00 H new ATOM 1185 N ASN A 84 -10.003 13.904 -5.306 1.00 0.00 N ATOM 1186 CA ASN A 84 -10.544 13.147 -4.190 1.00 0.00 C ATOM 1187 C ASN A 84 -10.349 13.942 -2.898 1.00 0.00 C ATOM 1188 O ASN A 84 -9.218 14.174 -2.473 1.00 0.00 O ATOM 1189 CB ASN A 84 -9.824 11.806 -4.034 1.00 0.00 C ATOM 1190 CG ASN A 84 -10.764 10.742 -3.463 1.00 0.00 C ATOM 1191 OD1 ASN A 84 -10.420 10.309 -2.254 1.00 0.00 O flip ATOM 1192 ND2 ASN A 84 -11.738 10.342 -4.080 1.00 0.00 N flip ATOM 0 H ASN A 84 -10.704 14.347 -5.900 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.601 12.968 -4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.444 11.479 -5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.963 11.926 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.945 10.717 -5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.345 9.632 -3.670 1.00 0.00 H new ATOM 1198 N PRO A 85 -11.497 14.348 -2.294 1.00 0.00 N ATOM 1199 CA PRO A 85 -11.462 15.112 -1.058 1.00 0.00 C ATOM 1200 C PRO A 85 -11.112 14.216 0.131 1.00 0.00 C ATOM 1201 O PRO A 85 -10.540 14.681 1.116 1.00 0.00 O ATOM 1202 CB PRO A 85 -12.843 15.738 -0.944 1.00 0.00 C ATOM 1203 CG PRO A 85 -13.742 14.933 -1.868 1.00 0.00 C ATOM 1204 CD PRO A 85 -12.853 14.091 -2.769 1.00 0.00 C ATOM 0 HA PRO A 85 -10.689 15.881 -1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.205 15.701 0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.822 16.788 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.411 14.296 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -14.369 15.597 -2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -13.104 13.033 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -12.967 14.375 -3.815 1.00 0.00 H new ATOM 1209 N GLU A 86 -11.472 12.947 0.002 1.00 0.00 N ATOM 1210 CA GLU A 86 -11.203 11.983 1.053 1.00 0.00 C ATOM 1211 C GLU A 86 -9.716 11.990 1.414 1.00 0.00 C ATOM 1212 O GLU A 86 -9.358 11.959 2.590 1.00 0.00 O ATOM 1213 CB GLU A 86 -11.660 10.581 0.643 1.00 0.00 C ATOM 1214 CG GLU A 86 -12.083 9.762 1.863 1.00 0.00 C ATOM 1215 CD GLU A 86 -13.579 9.924 2.141 1.00 0.00 C ATOM 1216 OE1 GLU A 86 -14.097 11.050 2.104 1.00 0.00 O ATOM 1217 OE2 GLU A 86 -14.208 8.828 2.402 1.00 0.00 O ATOM 0 H GLU A 86 -11.948 12.565 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.773 12.272 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.494 10.656 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.852 10.070 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.852 8.710 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.511 10.080 2.735 1.00 0.00 H new ATOM 1223 N ALA A 87 -8.890 12.032 0.379 1.00 0.00 N ATOM 1224 CA ALA A 87 -7.449 12.044 0.571 1.00 0.00 C ATOM 1225 C ALA A 87 -6.942 10.606 0.688 1.00 0.00 C ATOM 1226 O ALA A 87 -6.155 10.292 1.579 1.00 0.00 O ATOM 1227 CB ALA A 87 -7.106 12.886 1.803 1.00 0.00 C ATOM 0 H ALA A 87 -9.191 12.058 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.951 12.500 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.026 12.896 1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.462 13.906 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.586 12.457 2.682 1.00 0.00 H new ATOM 1233 N ALA A 88 -7.415 9.770 -0.225 1.00 0.00 N ATOM 1234 CA ALA A 88 -7.019 8.372 -0.235 1.00 0.00 C ATOM 1235 C ALA A 88 -7.488 7.704 1.059 1.00 0.00 C ATOM 1236 O ALA A 88 -7.159 8.161 2.152 1.00 0.00 O ATOM 1237 CB ALA A 88 -5.504 8.271 -0.428 1.00 0.00 C ATOM 0 H ALA A 88 -8.068 10.034 -0.962 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.489 7.846 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.207 7.222 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.226 8.733 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.998 8.785 0.389 1.00 0.00 H new ATOM 1243 N GLN A 89 -8.249 6.631 0.891 1.00 0.00 N ATOM 1244 CA GLN A 89 -8.766 5.896 2.033 1.00 0.00 C ATOM 1245 C GLN A 89 -7.620 5.463 2.949 1.00 0.00 C ATOM 1246 O GLN A 89 -6.484 5.318 2.502 1.00 0.00 O ATOM 1247 CB GLN A 89 -9.591 4.690 1.579 1.00 0.00 C ATOM 1248 CG GLN A 89 -8.807 3.833 0.583 1.00 0.00 C ATOM 1249 CD GLN A 89 -9.706 3.366 -0.564 1.00 0.00 C ATOM 1250 OE1 GLN A 89 -9.057 3.136 -1.700 1.00 0.00 O flip ATOM 1251 NE2 GLN A 89 -10.910 3.224 -0.425 1.00 0.00 N flip ATOM 0 H GLN A 89 -8.519 6.254 -0.017 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.426 6.555 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.867 4.087 2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.518 5.032 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.970 4.406 0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.385 2.968 1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.346 3.418 0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.481 2.911 -1.210 1.00 0.00 H new ATOM 1258 N ALA A 90 -7.958 5.270 4.216 1.00 0.00 N ATOM 1259 CA ALA A 90 -6.972 4.856 5.199 1.00 0.00 C ATOM 1260 C ALA A 90 -6.155 6.072 5.637 1.00 0.00 C ATOM 1261 O ALA A 90 -4.931 5.995 5.752 1.00 0.00 O ATOM 1262 CB ALA A 90 -6.097 3.747 4.610 1.00 0.00 C ATOM 0 H ALA A 90 -8.901 5.393 4.584 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.460 4.450 6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.357 3.437 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.721 2.895 4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.588 4.119 3.720 1.00 0.00 H new ATOM 1268 N LEU A 91 -6.861 7.168 5.870 1.00 0.00 N ATOM 1269 CA LEU A 91 -6.216 8.399 6.294 1.00 0.00 C ATOM 1270 C LEU A 91 -7.143 9.152 7.251 1.00 0.00 C ATOM 1271 O LEU A 91 -8.363 9.022 7.170 1.00 0.00 O ATOM 1272 CB LEU A 91 -5.787 9.225 5.078 1.00 0.00 C ATOM 1273 CG LEU A 91 -6.673 10.423 4.734 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -8.153 10.038 4.763 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -6.372 11.609 5.653 1.00 0.00 C ATOM 0 H LEU A 91 -7.875 7.229 5.773 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.300 8.180 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.773 9.586 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.749 8.566 4.211 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.442 10.737 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.760 10.908 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.338 9.247 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.417 9.683 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.016 12.448 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.557 11.323 6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.328 11.902 5.539 1.00 0.00 H new ATOM 1286 N ARG A 92 -6.527 9.923 8.135 1.00 0.00 N ATOM 1287 CA ARG A 92 -7.281 10.697 9.107 1.00 0.00 C ATOM 1288 C ARG A 92 -6.330 11.479 10.015 1.00 0.00 C ATOM 1289 O ARG A 92 -6.500 11.494 11.233 1.00 0.00 O ATOM 1290 CB ARG A 92 -8.164 9.790 9.966 1.00 0.00 C ATOM 1291 CG ARG A 92 -7.355 8.631 10.552 1.00 0.00 C ATOM 1292 CD ARG A 92 -7.741 8.375 12.010 1.00 0.00 C ATOM 1293 NE ARG A 92 -7.494 9.589 12.819 1.00 0.00 N ATOM 1294 CZ ARG A 92 -8.451 10.481 13.157 1.00 0.00 C ATOM 1295 NH1 ARG A 92 -9.728 10.299 12.758 1.00 0.00 N ATOM 1296 NH2 ARG A 92 -8.119 11.531 13.884 1.00 0.00 N ATOM 0 H ARG A 92 -5.514 10.028 8.199 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.917 11.391 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.611 10.370 10.773 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.983 9.398 9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.525 7.730 9.963 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.291 8.857 10.488 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.792 8.094 12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.164 7.540 12.407 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.542 9.763 13.142 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.976 9.484 12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.445 10.977 13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.152 11.660 14.182 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.829 12.214 14.148 1.00 0.00 H new ATOM 1305 N ALA A 93 -5.350 12.112 9.387 1.00 0.00 N ATOM 1306 CA ALA A 93 -4.373 12.895 10.123 1.00 0.00 C ATOM 1307 C ALA A 93 -3.755 13.940 9.189 1.00 0.00 C ATOM 1308 O ALA A 93 -3.948 15.139 9.379 1.00 0.00 O ATOM 1309 CB ALA A 93 -3.323 11.963 10.729 1.00 0.00 C ATOM 0 H ALA A 93 -5.212 12.098 8.376 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.850 13.428 10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.590 12.551 11.281 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.808 11.260 11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.821 11.413 9.933 1.00 0.00 H new ATOM 1315 N LYS A 94 -3.024 13.445 8.201 1.00 0.00 N ATOM 1316 CA LYS A 94 -2.377 14.320 7.239 1.00 0.00 C ATOM 1317 C LYS A 94 -3.125 14.246 5.906 1.00 0.00 C ATOM 1318 O LYS A 94 -4.078 13.480 5.766 1.00 0.00 O ATOM 1319 CB LYS A 94 -0.888 13.986 7.127 1.00 0.00 C ATOM 1320 CG LYS A 94 -0.030 15.241 7.299 1.00 0.00 C ATOM 1321 CD LYS A 94 0.492 15.356 8.733 1.00 0.00 C ATOM 1322 CE LYS A 94 -0.577 15.936 9.662 1.00 0.00 C ATOM 1323 NZ LYS A 94 0.051 16.623 10.811 1.00 0.00 N ATOM 0 H LYS A 94 -2.866 12.449 8.046 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.423 15.356 7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.619 13.250 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.685 13.533 6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.809 15.210 6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.618 16.125 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.797 14.373 9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.378 15.991 8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.205 16.636 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.228 15.138 10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.689 17.010 11.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.631 15.945 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.653 17.397 10.466 1.00 0.00 H new ATOM 1332 N ILE A 95 -2.665 15.054 4.960 1.00 0.00 N ATOM 1333 CA ILE A 95 -3.280 15.089 3.644 1.00 0.00 C ATOM 1334 C ILE A 95 -3.098 13.730 2.964 1.00 0.00 C ATOM 1335 O ILE A 95 -4.075 13.041 2.676 1.00 0.00 O ATOM 1336 CB ILE A 95 -2.732 16.263 2.829 1.00 0.00 C ATOM 1337 CG1 ILE A 95 -3.245 17.597 3.375 1.00 0.00 C ATOM 1338 CG2 ILE A 95 -3.049 16.092 1.342 1.00 0.00 C ATOM 1339 CD1 ILE A 95 -4.763 17.707 3.218 1.00 0.00 C ATOM 0 H ILE A 95 -1.875 15.688 5.079 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.353 15.262 3.729 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.647 16.271 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.977 17.690 4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.761 18.420 2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.649 16.939 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.595 15.171 0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.129 16.044 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.101 18.665 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.026 17.638 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.245 16.897 3.766 1.00 0.00 H new ATOM 1350 N GLU A 96 -1.840 13.387 2.726 1.00 0.00 N ATOM 1351 CA GLU A 96 -1.518 12.123 2.086 1.00 0.00 C ATOM 1352 C GLU A 96 -2.092 10.957 2.893 1.00 0.00 C ATOM 1353 O GLU A 96 -3.146 10.422 2.552 1.00 0.00 O ATOM 1354 CB GLU A 96 -0.006 11.971 1.903 1.00 0.00 C ATOM 1355 CG GLU A 96 0.352 11.786 0.428 1.00 0.00 C ATOM 1356 CD GLU A 96 1.749 12.331 0.129 1.00 0.00 C ATOM 1357 OE1 GLU A 96 2.750 11.643 0.378 1.00 0.00 O ATOM 1358 OE2 GLU A 96 1.775 13.516 -0.380 1.00 0.00 O ATOM 0 H GLU A 96 -1.032 13.962 2.965 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.974 12.113 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.502 12.852 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.349 11.115 2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.308 10.728 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.382 12.297 -0.195 1.00 0.00 H new ATOM 1364 N SER A 97 -1.375 10.598 3.947 1.00 0.00 N ATOM 1365 CA SER A 97 -1.801 9.505 4.805 1.00 0.00 C ATOM 1366 C SER A 97 -0.798 9.313 5.944 1.00 0.00 C ATOM 1367 O SER A 97 0.398 9.154 5.702 1.00 0.00 O ATOM 1368 CB SER A 97 -1.955 8.207 4.008 1.00 0.00 C ATOM 1369 OG SER A 97 -3.312 7.775 3.951 1.00 0.00 O ATOM 0 H SER A 97 -0.502 11.044 4.227 1.00 0.00 H new ATOM 0 HA SER A 97 -2.774 9.759 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.579 8.356 2.996 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.345 7.427 4.463 1.00 0.00 H new ATOM 0 HG SER A 97 -3.497 7.178 4.706 1.00 0.00 H new ATOM 1374 N GLU A 98 -1.321 9.333 7.161 1.00 0.00 N ATOM 1375 CA GLU A 98 -0.486 9.163 8.338 1.00 0.00 C ATOM 1376 C GLU A 98 -1.241 8.384 9.416 1.00 0.00 C ATOM 1377 O GLU A 98 -0.876 8.430 10.590 1.00 0.00 O ATOM 1378 CB GLU A 98 -0.007 10.516 8.870 1.00 0.00 C ATOM 1379 CG GLU A 98 1.490 10.705 8.621 1.00 0.00 C ATOM 1380 CD GLU A 98 2.283 10.581 9.924 1.00 0.00 C ATOM 1381 OE1 GLU A 98 1.746 10.103 10.934 1.00 0.00 O ATOM 1382 OE2 GLU A 98 3.501 11.001 9.862 1.00 0.00 O ATOM 0 H GLU A 98 -2.313 9.464 7.358 1.00 0.00 H new ATOM 0 HA GLU A 98 0.396 8.589 8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.564 11.319 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.213 10.584 9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.840 9.961 7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.667 11.684 8.175 1.00 0.00 H new ATOM 1388 N ASN A 99 -2.281 7.688 8.980 1.00 0.00 N ATOM 1389 CA ASN A 99 -3.091 6.901 9.894 1.00 0.00 C ATOM 1390 C ASN A 99 -2.179 5.997 10.727 1.00 0.00 C ATOM 1391 O ASN A 99 -1.557 5.079 10.196 1.00 0.00 O ATOM 1392 CB ASN A 99 -4.072 6.009 9.131 1.00 0.00 C ATOM 1393 CG ASN A 99 -3.329 4.958 8.304 1.00 0.00 C ATOM 1394 OD1 ASN A 99 -2.542 5.266 7.423 1.00 0.00 O ATOM 1395 ND2 ASN A 99 -3.620 3.704 8.635 1.00 0.00 N ATOM 0 H ASN A 99 -2.581 7.653 8.006 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.649 7.589 10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.743 5.516 9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.691 6.621 8.476 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -3.175 2.930 8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.288 3.516 9.382 1.00 0.00 H new ATOM 1401 N PRO A 100 -2.130 6.297 12.053 1.00 0.00 N ATOM 1402 CA PRO A 100 -1.305 5.522 12.965 1.00 0.00 C ATOM 1403 C PRO A 100 -1.943 4.163 13.260 1.00 0.00 C ATOM 1404 O PRO A 100 -1.283 3.264 13.778 1.00 0.00 O ATOM 1405 CB PRO A 100 -1.163 6.393 14.202 1.00 0.00 C ATOM 1406 CG PRO A 100 -2.286 7.413 14.126 1.00 0.00 C ATOM 1407 CD PRO A 100 -2.854 7.377 12.716 1.00 0.00 C ATOM 0 HA PRO A 100 -0.327 5.283 12.548 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.239 5.796 15.111 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.190 6.884 14.224 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.062 7.182 14.856 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.913 8.410 14.362 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.927 7.187 12.726 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.704 8.327 12.204 1.00 0.00 H new ATOM 1412 N ASP A 101 -3.218 4.057 12.918 1.00 0.00 N ATOM 1413 CA ASP A 101 -3.953 2.822 13.140 1.00 0.00 C ATOM 1414 C ASP A 101 -5.319 2.917 12.456 1.00 0.00 C ATOM 1415 O ASP A 101 -5.633 2.116 11.576 1.00 0.00 O ATOM 1416 CB ASP A 101 -4.186 2.583 14.633 1.00 0.00 C ATOM 1417 CG ASP A 101 -4.225 1.111 15.052 1.00 0.00 C ATOM 1418 OD1 ASP A 101 -5.300 0.495 15.124 1.00 0.00 O ATOM 1419 OD2 ASP A 101 -3.076 0.588 15.316 1.00 0.00 O ATOM 0 H ASP A 101 -3.762 4.806 12.489 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.366 2.000 12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.397 3.084 15.194 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.128 3.052 14.919 1.00 0.00 H new ATOM 1424 N ALA A 102 -6.093 3.901 12.888 1.00 0.00 N ATOM 1425 CA ALA A 102 -7.418 4.110 12.328 1.00 0.00 C ATOM 1426 C ALA A 102 -8.413 3.179 13.025 1.00 0.00 C ATOM 1427 O ALA A 102 -9.244 2.551 12.370 1.00 0.00 O ATOM 1428 CB ALA A 102 -7.375 3.889 10.814 1.00 0.00 C ATOM 0 H ALA A 102 -5.829 4.562 13.619 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.749 5.135 12.498 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.369 4.046 10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.676 4.593 10.363 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.050 2.870 10.604 1.00 0.00 H new ATOM 1434 N VAL A 103 -8.297 3.121 14.342 1.00 0.00 N ATOM 1435 CA VAL A 103 -9.176 2.277 15.135 1.00 0.00 C ATOM 1436 C VAL A 103 -9.502 2.984 16.452 1.00 0.00 C ATOM 1437 O VAL A 103 -8.895 4.001 16.782 1.00 0.00 O ATOM 1438 CB VAL A 103 -8.540 0.901 15.336 1.00 0.00 C ATOM 1439 CG1 VAL A 103 -9.523 -0.066 15.998 1.00 0.00 C ATOM 1440 CG2 VAL A 103 -8.026 0.336 14.009 1.00 0.00 C ATOM 0 H VAL A 103 -7.608 3.645 14.882 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.118 2.110 14.613 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.687 1.021 16.003 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.045 -1.037 16.129 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.821 0.327 16.970 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -10.405 -0.178 15.367 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.578 -0.643 14.179 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -8.856 0.239 13.309 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -7.277 1.010 13.592 1.00 0.00 H new ATOM 1450 N ALA A 104 -10.459 2.416 17.171 1.00 0.00 N ATOM 1451 CA ALA A 104 -10.872 2.977 18.445 1.00 0.00 C ATOM 1452 C ALA A 104 -10.276 2.146 19.582 1.00 0.00 C ATOM 1453 O ALA A 104 -9.478 2.649 20.372 1.00 0.00 O ATOM 1454 CB ALA A 104 -12.400 3.036 18.506 1.00 0.00 C ATOM 0 H ALA A 104 -10.960 1.572 16.895 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.501 3.996 18.553 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -12.710 3.457 19.462 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -12.773 3.663 17.696 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.807 2.030 18.403 1.00 0.00 H new ATOM 1460 N ASN A 105 -10.685 0.887 19.629 1.00 0.00 N ATOM 1461 CA ASN A 105 -10.200 -0.020 20.656 1.00 0.00 C ATOM 1462 C ASN A 105 -10.915 -1.366 20.522 1.00 0.00 C ATOM 1463 O ASN A 105 -12.076 -1.418 20.117 1.00 0.00 O ATOM 1464 CB ASN A 105 -10.487 0.529 22.056 1.00 0.00 C ATOM 1465 CG ASN A 105 -9.960 -0.418 23.135 1.00 0.00 C ATOM 1466 OD1 ASN A 105 -8.786 -0.745 23.191 1.00 0.00 O ATOM 1467 ND2 ASN A 105 -10.890 -0.838 23.988 1.00 0.00 N ATOM 0 H ASN A 105 -11.347 0.473 18.973 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.124 -0.132 20.525 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -10.023 1.509 22.169 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -11.561 0.669 22.183 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -10.638 -1.473 24.746 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -11.855 -0.526 23.884 1.00 0.00 H new ATOM 1473 N VAL A 106 -10.193 -2.421 20.869 1.00 0.00 N ATOM 1474 CA VAL A 106 -10.744 -3.763 20.792 1.00 0.00 C ATOM 1475 C VAL A 106 -10.626 -4.437 22.160 1.00 0.00 C ATOM 1476 O VAL A 106 -9.930 -3.940 23.043 1.00 0.00 O ATOM 1477 CB VAL A 106 -10.051 -4.550 19.677 1.00 0.00 C ATOM 1478 CG1 VAL A 106 -10.907 -5.737 19.231 1.00 0.00 C ATOM 1479 CG2 VAL A 106 -9.715 -3.641 18.492 1.00 0.00 C ATOM 0 H VAL A 106 -9.231 -2.374 21.204 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.803 -3.727 20.537 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.115 -4.942 20.075 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.392 -6.279 18.438 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.074 -6.403 20.077 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.866 -5.375 18.859 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.223 -4.225 17.714 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.633 -3.207 18.095 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.049 -2.843 18.822 1.00 0.00 H new ATOM 1489 N GLN A 107 -11.318 -5.560 22.292 1.00 0.00 N ATOM 1490 CA GLN A 107 -11.300 -6.308 23.538 1.00 0.00 C ATOM 1491 C GLN A 107 -11.371 -7.809 23.257 1.00 0.00 C ATOM 1492 O GLN A 107 -12.355 -8.294 22.700 1.00 0.00 O ATOM 1493 CB GLN A 107 -12.441 -5.867 24.457 1.00 0.00 C ATOM 1494 CG GLN A 107 -12.448 -6.684 25.752 1.00 0.00 C ATOM 1495 CD GLN A 107 -13.379 -6.057 26.791 1.00 0.00 C ATOM 1496 OE1 GLN A 107 -14.398 -5.466 26.473 1.00 0.00 O ATOM 1497 NE2 GLN A 107 -12.974 -6.217 28.047 1.00 0.00 N ATOM 0 H GLN A 107 -11.894 -5.970 21.557 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.362 -6.099 24.052 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.335 -4.808 24.691 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.394 -5.986 23.942 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.768 -7.704 25.541 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.437 -6.744 26.154 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.110 -6.723 28.244 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.527 -5.834 28.814 1.00 0.00 H new ATOM 1504 N ALA A 108 -10.316 -8.504 23.654 1.00 0.00 N ATOM 1505 CA ALA A 108 -10.247 -9.942 23.451 1.00 0.00 C ATOM 1506 C ALA A 108 -8.873 -10.449 23.896 1.00 0.00 C ATOM 1507 O ALA A 108 -8.280 -11.303 23.238 1.00 0.00 O ATOM 1508 CB ALA A 108 -10.542 -10.266 21.986 1.00 0.00 C ATOM 0 H ALA A 108 -9.502 -8.099 24.115 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.998 -10.452 24.054 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.490 -11.344 21.834 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.540 -9.911 21.729 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.807 -9.774 21.349 1.00 0.00 H new ATOM 1514 N ARG A 109 -8.407 -9.903 25.009 1.00 0.00 N ATOM 1515 CA ARG A 109 -7.115 -10.289 25.548 1.00 0.00 C ATOM 1516 C ARG A 109 -7.248 -10.673 27.024 1.00 0.00 C ATOM 1517 O ARG A 109 -6.696 -10.003 27.895 1.00 0.00 O ATOM 1518 CB ARG A 109 -6.100 -9.154 25.414 1.00 0.00 C ATOM 1519 CG ARG A 109 -5.530 -9.093 23.995 1.00 0.00 C ATOM 1520 CD ARG A 109 -6.429 -8.261 23.079 1.00 0.00 C ATOM 1521 NE ARG A 109 -5.949 -8.351 21.682 1.00 0.00 N ATOM 1522 CZ ARG A 109 -6.592 -7.812 20.624 1.00 0.00 C ATOM 1523 NH1 ARG A 109 -7.750 -7.140 20.796 1.00 0.00 N ATOM 1524 NH2 ARG A 109 -6.073 -7.953 19.419 1.00 0.00 N ATOM 0 H ARG A 109 -8.902 -9.196 25.553 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.761 -11.147 24.976 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -6.576 -8.205 25.660 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -5.290 -9.299 26.129 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.530 -8.661 24.019 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.431 -10.102 23.595 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -7.457 -8.618 23.143 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.432 -7.221 23.405 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.078 -8.852 21.507 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.146 -7.036 21.730 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.229 -6.736 19.992 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -5.198 -8.463 19.297 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.547 -7.552 18.610 1.00 0.00 H new ATOM 1533 N LEU A 110 -7.985 -11.748 27.259 1.00 0.00 N ATOM 1534 CA LEU A 110 -8.200 -12.228 28.613 1.00 0.00 C ATOM 1535 C LEU A 110 -6.867 -12.224 29.367 1.00 0.00 C ATOM 1536 O LEU A 110 -6.639 -11.375 30.227 1.00 0.00 O ATOM 1537 CB LEU A 110 -8.893 -13.592 28.597 1.00 0.00 C ATOM 1538 CG LEU A 110 -9.240 -14.185 29.963 1.00 0.00 C ATOM 1539 CD1 LEU A 110 -10.469 -13.498 30.562 1.00 0.00 C ATOM 1540 CD2 LEU A 110 -9.419 -15.701 29.873 1.00 0.00 C ATOM 0 H LEU A 110 -8.441 -12.301 26.533 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.875 -11.562 29.150 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.812 -13.503 28.018 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.251 -14.297 28.070 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.405 -13.999 30.638 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.695 -13.938 31.533 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -10.268 -12.434 30.684 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -11.321 -13.632 29.896 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.665 -16.097 30.858 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.226 -15.931 29.177 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.494 -16.156 29.520 1.00 0.00 H new ATOM 1551 N GLU A 111 -6.023 -13.184 29.016 1.00 0.00 N ATOM 1552 CA GLU A 111 -4.721 -13.302 29.648 1.00 0.00 C ATOM 1553 C GLU A 111 -3.627 -13.445 28.588 1.00 0.00 C ATOM 1554 O GLU A 111 -3.746 -12.900 27.492 1.00 0.00 O ATOM 1555 CB GLU A 111 -4.692 -14.477 30.628 1.00 0.00 C ATOM 1556 CG GLU A 111 -5.974 -14.529 31.461 1.00 0.00 C ATOM 1557 CD GLU A 111 -5.658 -14.760 32.940 1.00 0.00 C ATOM 1558 OE1 GLU A 111 -4.952 -15.722 33.281 1.00 0.00 O ATOM 1559 OE2 GLU A 111 -6.175 -13.898 33.749 1.00 0.00 O ATOM 0 H GLU A 111 -6.216 -13.887 28.302 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.531 -12.392 30.217 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.573 -15.411 30.078 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.829 -14.384 31.288 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.526 -13.596 31.345 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.618 -15.328 31.094 1.00 0.00 H new ATOM 1565 N ALA A 112 -2.587 -14.181 28.952 1.00 0.00 N ATOM 1566 CA ALA A 112 -1.474 -14.402 28.045 1.00 0.00 C ATOM 1567 C ALA A 112 -0.449 -15.319 28.717 1.00 0.00 C ATOM 1568 O ALA A 112 0.657 -14.888 29.042 1.00 0.00 O ATOM 1569 CB ALA A 112 -0.871 -13.056 27.637 1.00 0.00 C ATOM 0 H ALA A 112 -2.492 -14.632 29.862 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.814 -14.896 27.135 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.036 -13.223 26.957 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.630 -12.453 27.139 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.517 -12.532 28.525 1.00 0.00 H new ATOM 1575 N GLU A 113 -0.853 -16.566 28.907 1.00 0.00 N ATOM 1576 CA GLU A 113 0.016 -17.547 29.534 1.00 0.00 C ATOM 1577 C GLU A 113 0.541 -18.536 28.490 1.00 0.00 C ATOM 1578 O GLU A 113 1.746 -18.616 28.258 1.00 0.00 O ATOM 1579 CB GLU A 113 -0.710 -18.278 30.665 1.00 0.00 C ATOM 1580 CG GLU A 113 0.234 -19.240 31.392 1.00 0.00 C ATOM 1581 CD GLU A 113 -0.495 -19.981 32.513 1.00 0.00 C ATOM 1582 OE1 GLU A 113 -1.153 -21.000 32.256 1.00 0.00 O ATOM 1583 OE2 GLU A 113 -0.360 -19.464 33.687 1.00 0.00 O ATOM 0 H GLU A 113 -1.771 -16.920 28.638 1.00 0.00 H new ATOM 0 HA GLU A 113 0.867 -17.024 29.970 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.111 -17.553 31.373 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.558 -18.831 30.260 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.643 -19.959 30.682 1.00 0.00 H new ATOM 0 HG3 GLU A 113 1.076 -18.685 31.806 1.00 0.00 H new ATOM 1589 N SER A 114 -0.389 -19.262 27.890 1.00 0.00 N ATOM 1590 CA SER A 114 -0.035 -20.242 26.876 1.00 0.00 C ATOM 1591 C SER A 114 0.855 -21.327 27.486 1.00 0.00 C ATOM 1592 O SER A 114 1.690 -21.040 28.342 1.00 0.00 O ATOM 1593 CB SER A 114 0.671 -19.579 25.693 1.00 0.00 C ATOM 1594 OG SER A 114 -0.254 -19.012 24.768 1.00 0.00 O ATOM 0 H SER A 114 -1.388 -19.192 28.086 1.00 0.00 H new ATOM 0 HA SER A 114 -0.953 -20.699 26.506 1.00 0.00 H new ATOM 0 HB2 SER A 114 1.340 -18.801 26.060 1.00 0.00 H new ATOM 0 HB3 SER A 114 1.290 -20.316 25.181 1.00 0.00 H new ATOM 0 HG SER A 114 0.236 -18.597 24.028 1.00 0.00 H new ATOM 1599 N LYS A 115 0.645 -22.550 27.020 1.00 0.00 N ATOM 1600 CA LYS A 115 1.419 -23.679 27.508 1.00 0.00 C ATOM 1601 C LYS A 115 1.647 -23.523 29.014 1.00 0.00 C ATOM 1602 O LYS A 115 0.703 -23.595 29.799 1.00 0.00 O ATOM 1603 CB LYS A 115 2.711 -23.831 26.704 1.00 0.00 C ATOM 1604 CG LYS A 115 3.851 -23.035 27.340 1.00 0.00 C ATOM 1605 CD LYS A 115 4.825 -23.959 28.073 1.00 0.00 C ATOM 1606 CE LYS A 115 6.210 -23.924 27.424 1.00 0.00 C ATOM 1607 NZ LYS A 115 6.965 -25.154 27.747 1.00 0.00 N ATOM 0 H LYS A 115 -0.049 -22.783 26.310 1.00 0.00 H new ATOM 0 HA LYS A 115 0.869 -24.609 27.362 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.986 -24.884 26.647 1.00 0.00 H new ATOM 0 HB3 LYS A 115 2.550 -23.488 25.682 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.384 -22.478 26.570 1.00 0.00 H new ATOM 0 HG3 LYS A 115 3.443 -22.304 28.038 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.902 -23.657 29.118 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.441 -24.979 28.063 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.109 -23.826 26.343 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.760 -23.050 27.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.903 -25.114 27.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.077 -25.232 28.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.447 -25.983 27.392 1.00 0.00 H new TER 1616 LYS A 115